N-methyl-2-[3-(phenylsulfonyl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-methyl-2-[3-(phenylsulfonyl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[3-(benzenesulfonyl)propanoylamino]-N-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[3-(benzenesulfonyl)-1-oxopropyl]amino]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[3-(benzenesulfonyl)propanoylamino]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-(3-besylpropanoylamino)-N-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C19H22N2O4S2 MolecularWeight: 406.51898

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CNC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H22N2O4S2/c1-20-18(23)17-14-9-5-6-10-15(14)26-19(17)21-16(22)11-12-27(24,25)13-7-3-2-4-8-13/h2-4,7-8H,5-6,9-12H2,1H3,(H,20,23)(H,21,22)