N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanamide

Systemtic Name: N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanamide Openeye Name: N-[2-methyl-5-(1-piperidylsulfonyl)phenyl]-4-(4-methylsulfanylphenyl)-4-oxo-butanamide CAS Name: N-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-4-[4-(methylthio)phenyl]-4-oxobutanamide IUPAC Name: N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-4-(4-methylsulfanylphenyl)-4-oxobutanamide Traditional Name: 4-keto-N-(2-methyl-5-piperidinosulfonyl-phenyl)-4-[4-(methylthio)phenyl]butyramide Formula: C23H28N2O4S2 MolecularWeight: 460.60942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CCC(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CCC(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C23H28N2O4S2/c1-17-6-11-20(31(28,29)25-14-4-3-5-15-25)16-21(17)24-23(27)13-12-22(26)18-7-9-19(30-2)10-8-18/h6-11,16H,3-5,12-15H2,1-2H3,(H,24,27)