4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-methylphenyl)thiophene-2-carboxamide

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-methylphenyl)thiophene-2-carboxamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(o-tolyl)thiophene-2-carboxamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-methylphenyl)-2-thiophenecarboxamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-methylphenyl)thiophene-2-carboxamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(o-tolyl)thiophene-2-carboxamide Formula: C21H20N2O3S2 MolecularWeight: 412.5251

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2=CC(=CS2)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2=CC(=CS2)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H20N2O3S2/c1-15-6-2-5-9-19(15)22-21(24)20-12-18(14-27-20)28(25,26)23-11-10-16-7-3-4-8-17(16)13-23/h2-9,12,14H,10-11,13H2,1H3,(H,22,24)