N-[4-chloranyl-3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenyl]benzenesulfonamide

Systemtic Name: N-[4-chloranyl-3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenyl]benzenesulfonamide Openeye Name: N-[4-chloro-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]benzenesulfonamide CAS Name: N-[4-chloro-3-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]phenyl]benzenesulfonamide IUPAC Name: N-[4-chloro-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]benzenesulfonamide Traditional Name: N-[4-chloro-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]benzenesulfonamide Formula: C22H19ClN2O3S MolecularWeight: 426.91586

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=C(C=CC(=C3)NS(=O)(=O)C4=CC=CC=C4)Cl

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=C(C=CC(=C3)NS(=O)(=O)C4=CC=CC=C4)Cl

InChI

InChI=1S/C22H19ClN2O3S/c23-21-11-10-18(24-29(27,28)19-8-2-1-3-9-19)14-20(21)22(26)25-13-12-16-6-4-5-7-17(16)15-25/h1-11,14,24H,12-13,15H2