2-phenyl-N-(2-thiophen-2-ylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)ethanesulfonamide

Systemtic Name: 2-phenyl-N-(2-thiophen-2-ylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)ethanesulfonamide Openeye Name: 2-phenyl-N-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]ethanesulfonamide CAS Name: N-[2-[oxo(thiophen-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-2-phenylethanesulfonamide IUPAC Name: 2-phenyl-N-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]ethanesulfonamide Traditional Name: 2-phenyl-N-[2-(2-thenoyl)-3,4-dihydro-1H-isoquinolin-7-yl]ethanesulfonamide Formula: C22H22N2O3S2 MolecularWeight: 426.55168

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NS(=O)(=O)CCC3=CC=CC=C3)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NS(=O)(=O)CCC3=CC=CC=C3)C(=O)C4=CC=CS4

InChI

InChI=1S/C22H22N2O3S2/c25-22(21-7-4-13-28-21)24-12-10-18-8-9-20(15-19(18)16-24)23-29(26,27)14-11-17-5-2-1-3-6-17/h1-9,13,15,23H,10-12,14,16H2