N-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-3-sulfonamide

Systemtic Name: N-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-3-sulfonamide Openeye Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-3-sulfonamide CAS Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-pyridinesulfonamide IUPAC Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-3-sulfonamide Traditional Name: N-(2-besyl-3,4-dihydro-1H-isoquinolin-7-yl)pyridine-3-sulfonamide Formula: C20H19N3O4S2 MolecularWeight: 429.51256

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NS(=O)(=O)C3=CN=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NS(=O)(=O)C3=CN=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H19N3O4S2/c24-28(25,20-7-4-11-21-14-20)22-18-9-8-16-10-12-23(15-17(16)13-18)29(26,27)19-5-2-1-3-6-19/h1-9,11,13-14,22H,10,12,15H2