1-[4-(4-methylsulfanylphenyl)carbonylphenyl]-2-oxidanylidene-1-piperidin-1-yl-propane-1-sulfonamide

Systemtic Name: 1-[4-(4-methylsulfanylphenyl)carbonylphenyl]-2-oxidanylidene-1-piperidin-1-yl-propane-1-sulfonamide Openeye Name: 1-[4-(4-methylsulfanylbenzoyl)phenyl]-2-oxo-1-(1-piperidyl)propane-1-sulfonamide CAS Name: 1-[4-[[4-(methylthio)phenyl]-oxomethyl]phenyl]-2-oxo-1-(1-piperidinyl)-1-propanesulfonamide IUPAC Name: 1-[4-(4-methylsulfanylbenzoyl)phenyl]-2-oxo-1-piperidin-1-ylpropane-1-sulfonamide Traditional Name: 2-keto-1-[4-[4-(methylthio)benzoyl]phenyl]-1-piperidino-propane-1-sulfonamide Formula: C22H26N2O4S2 MolecularWeight: 446.58284

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)SC)(N3CCCCC3)S(=O)(=O)N

Isomeric SMILES

CC(=O)C(C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)SC)(N3CCCCC3)S(=O)(=O)N

InChI

InChI=1S/C22H26N2O4S2/c1-16(25)22(30(23,27)28,24-14-4-3-5-15-24)19-10-6-17(7-11-19)21(26)18-8-12-20(29-2)13-9-18/h6-13H,3-5,14-15H2,1-2H3,(H2,23,27,28)