4-chloranyl-3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-N-(4-methylsulfonylphenyl)benzenesulfonamide

Systemtic Name: 4-chloranyl-3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-N-(4-methylsulfonylphenyl)benzenesulfonamide Openeye Name: 4-chloro-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(4-methylsulfonylphenyl)benzenesulfonamide CAS Name: 4-chloro-3-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-N-(4-methylsulfonylphenyl)benzenesulfonamide IUPAC Name: 4-chloro-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(4-methylsulfonylphenyl)benzenesulfonamide Traditional Name: 4-chloro-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(4-mesylphenyl)benzenesulfonamide Formula: C23H21ClN2O5S2 MolecularWeight: 505.00624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C23H21ClN2O5S2/c1-32(28,29)19-8-6-18(7-9-19)25-33(30,31)20-10-11-22(24)21(14-20)23(27)26-13-12-16-4-2-3-5-17(16)15-26/h2-11,14,25H,12-13,15H2,1H3