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

Systemtic Name: N-methyl-2-[3-(phenylsulfonyl)propanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Openeye Name: 2-[3-(benzenesulfonyl)propanoylamino]-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide CAS Name: 2-[[3-(benzenesulfonyl)-1-oxopropyl]amino]-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide IUPAC Name: 2-[3-(benzenesulfonyl)propanoylamino]-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Traditional Name: 2-(3-besylpropanoylamino)-N-methyl-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:

CNC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CNC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H24N2O4S2/c1-21-19(24)18-15-10-6-3-7-11-16(15)27-20(18)22-17(23)12-13-28(25,26)14-8-4-2-5-9-14/h2,4-5,8-9H,3,6-7,10-13H2,1H3,(H,21,24)(H,22,23)