N-[4-[2-[3-(4-methylphenyl)carbothioylpiperidin-1-yl]ethanoyl]phenyl]methanesulfonamide

Systemtic Name: N-[4-[2-[3-(4-methylphenyl)carbothioylpiperidin-1-yl]ethanoyl]phenyl]methanesulfonamide Openeye Name: N-[4-[2-[3-(4-methylbenzenecarbothioyl)-1-piperidyl]acetyl]phenyl]methanesulfonamide CAS Name: N-[4-[2-[3-[(4-methylphenyl)-sulfanylidenemethyl]-1-piperidinyl]-1-oxoethyl]phenyl]methanesulfonamide IUPAC Name: N-[4-[2-[3-(4-methylbenzenecarbothioyl)piperidin-1-yl]acetyl]phenyl]methanesulfonamide Traditional Name: N-[4-[2-[3-(4-methylthiobenzoyl)piperidino]acetyl]phenyl]methanesulfonamide Formula: C22H26N2O3S2 MolecularWeight: 430.58344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=S)C2CCCN(C2)CC(=O)C3=CC=C(C=C3)NS(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=S)C2CCCN(C2)CC(=O)C3=CC=C(C=C3)NS(=O)(=O)C

InChI

InChI=1S/C22H26N2O3S2/c1-16-5-7-18(8-6-16)22(28)19-4-3-13-24(14-19)15-21(25)17-9-11-20(12-10-17)23-29(2,26)27/h5-12,19,23H,3-4,13-15H2,1-2H3