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

Systemtic Name: 2-[4-(phenylsulfonyl)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[4-(benzenesulfonyl)butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[4-(benzenesulfonyl)-1-oxobutyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[4-(benzenesulfonyl)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-(4-besylbutanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C19H22N2O4S2 MolecularWeight: 406.51898

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CCCS(=O)(=O)C3=CC=CC=C3)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CCCS(=O)(=O)C3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C19H22N2O4S2/c20-18(23)17-14-9-4-5-10-15(14)26-19(17)21-16(22)11-6-12-27(24,25)13-7-2-1-3-8-13/h1-3,7-8H,4-6,9-12H2,(H2,20,23)(H,21,22)