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88422-84-8 | Benzenesulfonamide, N-[(3,4-dihydro-1-isoquinolinyl)methyl]-4-methyl-
CAS No: 88422-84-8 Catalog No: AG004ET2 MDL No:
Product Description
Catalog Number:
AG004ET2
Chemical Name:
Benzenesulfonamide, N-[(3,4-dihydro-1-isoquinolinyl)methyl]-4-methyl-
CAS Number:
88422-84-8
Molecular Formula:
C17H18N2O2S
Molecular Weight:
314.4020
IUPAC Name:
N-(3,4-dihydroisoquinolin-1-ylmethyl)-4-methylbenzenesulfonamide
InChI:
InChI=1S/C17H18N2O2S/c1-13-6-8-15(9-7-13)22(20,21)19-12-17-16-5-3-2-4-14(16)10-11-18-17/h2-9,19H,10-12H2,1H3
InChI Key:
IFYMUMFEGRLJKA-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)NCC1=NCCc2c1cccc2
Properties
Complexity:
501
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.109g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
314.403g/mol
Monoisotopic Mass:
314.109g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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