2-[4-(phenylsulfonyl)butanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide

Systemtic Name: 2-[4-(phenylsulfonyl)butanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Openeye Name: 2-[4-(benzenesulfonyl)butanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide CAS Name: 2-[[4-(benzenesulfonyl)-1-oxobutyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide IUPAC Name: 2-[4-(benzenesulfonyl)butanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Traditional Name: 2-(4-besylbutanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Formula: C20H24N2O4S2 MolecularWeight: 420.54556

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)SC(=C2C(=O)N)NC(=O)CCCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCC2=C(CC1)SC(=C2C(=O)N)NC(=O)CCCS(=O)(=O)C3=CC=CC=C3

InChI

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