1-[3-(4-methylphenyl)carbothioylphenyl]-2-oxidanylidene-1-piperidin-1-yl-propane-1-sulfonamide

Systemtic Name: 1-[3-(4-methylphenyl)carbothioylphenyl]-2-oxidanylidene-1-piperidin-1-yl-propane-1-sulfonamide Openeye Name: 1-[3-(4-methylbenzenecarbothioyl)phenyl]-2-oxo-1-(1-piperidyl)propane-1-sulfonamide CAS Name: 1-[3-[(4-methylphenyl)-sulfanylidenemethyl]phenyl]-2-oxo-1-(1-piperidinyl)-1-propanesulfonamide IUPAC Name: 1-[3-(4-methylbenzenecarbothioyl)phenyl]-2-oxo-1-piperidin-1-ylpropane-1-sulfonamide Traditional Name: 2-keto-1-[3-(4-methylthiobenzoyl)phenyl]-1-piperidino-propane-1-sulfonamide Formula: C22H26N2O3S2 MolecularWeight: 430.58344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=S)C2=CC(=CC=C2)C(C(=O)C)(N3CCCCC3)S(=O)(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)C(=S)C2=CC(=CC=C2)C(C(=O)C)(N3CCCCC3)S(=O)(=O)N

InChI

InChI=1S/C22H26N2O3S2/c1-16-9-11-18(12-10-16)21(28)19-7-6-8-20(15-19)22(17(2)25,29(23,26)27)24-13-4-3-5-14-24/h6-12,15H,3-5,13-14H2,1-2H3,(H2,23,26,27)