N-[4-(4-butanoyl-3-oxidanylidene-5-thiophen-2-yl-cyclohexen-1-yl)phenyl]methanesulfonamide

Systemtic Name: N-[4-(4-butanoyl-3-oxidanylidene-5-thiophen-2-yl-cyclohexen-1-yl)phenyl]methanesulfonamide Openeye Name: N-[4-[4-butanoyl-3-oxo-5-(2-thienyl)cyclohexen-1-yl]phenyl]methanesulfonamide CAS Name: N-[4-[3-oxo-4-(1-oxobutyl)-5-thiophen-2-yl-1-cyclohexenyl]phenyl]methanesulfonamide IUPAC Name: N-[4-(4-butanoyl-3-oxo-5-thiophen-2-ylcyclohexen-1-yl)phenyl]methanesulfonamide Traditional Name: N-[4-[4-butyryl-3-keto-5-(2-thienyl)cyclohexen-1-yl]phenyl]methanesulfonamide Formula: C21H23NO4S2 MolecularWeight: 417.54162

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1C(CC(=CC1=O)C2=CC=C(C=C2)NS(=O)(=O)C)C3=CC=CS3

Isomeric SMILES

CCCC(=O)C1C(CC(=CC1=O)C2=CC=C(C=C2)NS(=O)(=O)C)C3=CC=CS3

InChI

InChI=1S/C21H23NO4S2/c1-3-5-18(23)21-17(20-6-4-11-27-20)12-15(13-19(21)24)14-7-9-16(10-8-14)22-28(2,25)26/h4,6-11,13,17,21-22H,3,5,12H2,1-2H3