3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-(methylcarbamoyl)phenyl]thiophene-2-carboxamide

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-(methylcarbamoyl)phenyl]thiophene-2-carboxamide Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-(methylcarbamoyl)phenyl]thiophene-2-carboxamide CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-(methylcarbamoyl)phenyl]-2-thiophenecarboxamide IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-(methylcarbamoyl)phenyl]thiophene-2-carboxamide Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-(methylcarbamoyl)phenyl]thiophene-2-carboxamide Formula: C22H21N3O4S2 MolecularWeight: 455.54984

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=CS2)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=CS2)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H21N3O4S2/c1-23-21(26)16-6-8-18(9-7-16)24-22(27)20-19(11-13-30-20)31(28,29)25-12-10-15-4-2-3-5-17(15)14-25/h2-9,11,13H,10,12,14H2,1H3,(H,23,26)(H,24,27)