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33456-68-7 | 4-(2-(7-Methoxy-4,4-dimethyl-1,3-dioxo-3,4-dihydroisoquinolin-2(1H);-yl);ethyl);benzenesulfonamide
CAS No: 33456-68-7 Catalog No: AG007FBH MDL No:MFCD09031244
Product Description
Catalog Number:
AG007FBH
Chemical Name:
4-(2-(7-Methoxy-4,4-dimethyl-1,3-dioxo-3,4-dihydroisoquinolin-2(1H);-yl);ethyl);benzenesulfonamide
CAS Number:
33456-68-7
Molecular Formula:
C20H22N2O5S
Molecular Weight:
402.4641
MDL Number:
MFCD09031244
IUPAC Name:
4-[2-(7-methoxy-4,4-dimethyl-1,3-dioxoisoquinolin-2-yl)ethyl]benzenesulfonamide
InChI:
InChI=1S/C20H22N2O5S/c1-20(2)17-9-6-14(27-3)12-16(17)18(23)22(19(20)24)11-10-13-4-7-15(8-5-13)28(21,25)26/h4-9,12H,10-11H2,1-3H3,(H2,21,25,26)
InChI Key:
YJHGEYXLMLMFCF-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)C(=O)N(C(=O)C2(C)C)CCc1ccc(cc1)S(=O)(=O)N
EC Number:
251-529-0
Properties
Complexity:
707
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.125g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
402.465g/mol
Monoisotopic Mass:
402.125g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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