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

Systemtic Name: 2-[3-(phenylmethyl)sulfonylpropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-(3-benzylsulfonylpropanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[1-oxo-3-(phenylmethyl)sulfonylpropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-(3-benzylsulfonylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-(3-benzylsulfonylpropanoylamino)-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)CCS(=O)(=O)CC3=CC=CC=C3)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CCS(=O)(=O)CC3=CC=CC=C3)C(=O)N

InChI

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