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

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4-ethanoylphenyl)thiophene-2-carboxamide Openeye Name: N-(4-acetylphenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide CAS Name: N-(4-acetylphenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-thiophenecarboxamide IUPAC Name: N-(4-acetylphenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide Traditional Name: N-(4-acetylphenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide Formula: C22H20N2O4S2 MolecularWeight: 440.5352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O4S2/c1-15(25)16-6-8-19(9-7-16)23-22(26)21-20(11-13-29-21)30(27,28)24-12-10-17-4-2-3-5-18(17)14-24/h2-9,11,13H,10,12,14H2,1H3,(H,23,26)