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

Systemtic Name: 1-phenyl-N-(2-thiophen-2-ylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)methanesulfonamide Openeye Name: 1-phenyl-N-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]methanesulfonamide CAS Name: N-[2-[oxo(thiophen-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-1-phenylmethanesulfonamide IUPAC Name: 1-phenyl-N-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]methanesulfonamide Traditional Name: 1-phenyl-N-[2-(2-thenoyl)-3,4-dihydro-1H-isoquinolin-7-yl]methanesulfonamide Formula: C21H20N2O3S2 MolecularWeight: 412.5251

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NS(=O)(=O)CC3=CC=CC=C3)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NS(=O)(=O)CC3=CC=CC=C3)C(=O)C4=CC=CS4

InChI

InChI=1S/C21H20N2O3S2/c24-21(20-7-4-12-27-20)23-11-10-17-8-9-19(13-18(17)14-23)22-28(25,26)15-16-5-2-1-3-6-16/h1-9,12-13,22H,10-11,14-15H2