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1381952-99-3 | Benzenesulfonamide, N,N-dimethyl-4-[2,3,5a,6,7,8,9,9a-octahydro-8-methyl-2-oxo-3-[[(tetrahydro-2-oxo-3-furanyl)oxy]imino]-1H-pyrrolo[3,2-h]isoquinolin-5-yl]-
CAS No: 1381952-99-3 Catalog No: AG00188O MDL No:
Product Description
Catalog Number:
AG00188O
Chemical Name:
Benzenesulfonamide, N,N-dimethyl-4-[2,3,5a,6,7,8,9,9a-octahydro-8-methyl-2-oxo-3-[[(tetrahydro-2-oxo-3-furanyl)oxy]imino]-1H-pyrrolo[3,2-h]isoquinolin-5-yl]-
CAS Number:
1381952-99-3
Molecular Formula:
C24H28N4O6S
Molecular Weight:
500.5673
IUPAC Name:
N,N-dimethyl-4-[(3Z)-8-methyl-2-oxo-3-(2-oxooxolan-3-yl)oxyimino-1,5a,6,7,9,9a-hexahydropyrrolo[3,2-h]isoquinolin-5-yl]benzenesulfonamide
InChI:
InChI=1S/C24H28N4O6S/c1-27(2)35(31,32)15-6-4-14(5-7-15)17-12-18-21(19-13-28(3)10-8-16(17)19)25-23(29)22(18)26-34-20-9-11-33-24(20)30/h4-7,12,16,19-20H,8-11,13H2,1-3H3,(H,25,26,29)
InChI Key:
QEHGCQJLOZOLSS-UHFFFAOYSA-N
SMILES:
CN1CCC2C(C1)C1=C(C=C2c2ccc(cc2)S(=O)(=O)N(C)C)C(=NOC2CCOC2=O)C(=O)N1
Properties
Complexity:
1100
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
500.173g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
500.57g/mol
Monoisotopic Mass:
500.173g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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