3-ethanoyl-N-(2-thiophen-2-ylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzenesulfonamide

Systemtic Name: 3-ethanoyl-N-(2-thiophen-2-ylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzenesulfonamide Openeye Name: 3-acetyl-N-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzenesulfonamide CAS Name: 3-acetyl-N-[2-[oxo(thiophen-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]benzenesulfonamide IUPAC Name: 3-acetyl-N-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzenesulfonamide Traditional Name: 3-acetyl-N-[2-(2-thenoyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzenesulfonamide Formula: C22H20N2O4S2 MolecularWeight: 440.5352

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)S(=O)(=O)NC2=CC3=C(CCN(C3)C(=O)C4=CC=CS4)C=C2

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)S(=O)(=O)NC2=CC3=C(CCN(C3)C(=O)C4=CC=CS4)C=C2

InChI

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