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

Systemtic Name: N-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]thiophene-3-carboxamide Openeye Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]thiophene-3-carboxamide CAS Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-thiophenecarboxamide IUPAC Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]thiophene-3-carboxamide Traditional Name: N-(2-besyl-3,4-dihydro-1H-isoquinolin-7-yl)thiophene-3-carboxamide Formula: C20H18N2O3S2 MolecularWeight: 398.49852

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=CSC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=CSC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H18N2O3S2/c23-20(16-9-11-26-14-16)21-18-7-6-15-8-10-22(13-17(15)12-18)27(24,25)19-4-2-1-3-5-19/h1-7,9,11-12,14H,8,10,13H2,(H,21,23)