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

Systemtic Name: 2-[4-(phenylmethyl)sulfonylbutanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-(4-benzylsulfonylbutanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[1-oxo-4-(phenylmethyl)sulfonylbutyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-(4-benzylsulfonylbutanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-(4-benzylsulfonylbutanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C20H24N2O4S2 MolecularWeight: 420.54556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O4S2/c21-19(24)18-15-9-4-5-10-16(15)27-20(18)22-17(23)11-6-12-28(25,26)13-14-7-2-1-3-8-14/h1-3,7-8H,4-6,9-13H2,(H2,21,24)(H,22,23)