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10256-61-8 | Benzenesulfonamide, N-[4-chloro-2-(3,4-dihydro-1-isoquinolinyl)phenyl]-N,4-dimethyl-, hydrochloride (1:1)
CAS No: 10256-61-8 Catalog No: AG0007PP MDL No:
Product Description
Catalog Number:
AG0007PP
Chemical Name:
Benzenesulfonamide, N-[4-chloro-2-(3,4-dihydro-1-isoquinolinyl)phenyl]-N,4-dimethyl-, hydrochloride (1:1)
CAS Number:
10256-61-8
Molecular Formula:
C23H22Cl2N2O2S
Molecular Weight:
461.4040
IUPAC Name:
N-[4-chloro-2-(3,4-dihydroisoquinolin-1-yl)phenyl]-N,4-dimethylbenzenesulfonamide
InChI:
InChI=1S/C23H21ClN2O2S/c1-16-7-10-19(11-8-16)29(27,28)26(2)22-12-9-18(24)15-21(22)23-20-6-4-3-5-17(20)13-14-25-23/h3-12,15H,13-14H2,1-2H3
InChI Key:
BQVZPFZLENJLDO-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)C1=NCCc2c1cccc2)N(S(=O)(=O)c1ccc(cc1)C)C.Cl
Properties
Complexity:
696
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
424.101g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
424.943g/mol
Monoisotopic Mass:
424.101g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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