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

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2,3-dimethylphenyl)thiophene-2-carboxamide Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2,3-dimethylphenyl)thiophene-2-carboxamide CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2,3-dimethylphenyl)-2-thiophenecarboxamide IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2,3-dimethylphenyl)thiophene-2-carboxamide Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2,3-dimethylphenyl)thiophene-2-carboxamide Formula: C22H22N2O3S2 MolecularWeight: 426.55168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C2=C(C=CS2)S(=O)(=O)N3CCC4=CC=CC=C4C3)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C2=C(C=CS2)S(=O)(=O)N3CCC4=CC=CC=C4C3)C

InChI

InChI=1S/C22H22N2O3S2/c1-15-6-5-9-19(16(15)2)23-22(25)21-20(11-13-28-21)29(26,27)24-12-10-17-7-3-4-8-18(17)14-24/h3-9,11,13H,10,12,14H2,1-2H3,(H,23,25)