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

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3-ethanoylphenyl)thiophene-2-carboxamide Openeye Name: N-(3-acetylphenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide CAS Name: N-(3-acetylphenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-thiophenecarboxamide IUPAC Name: N-(3-acetylphenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide Traditional Name: N-(3-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(=CC=C1)NC(=O)C2=C(C=CS2)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

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

InChI

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