2-(3-chlorophenyl)sulfanyl-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-phenethyl-benzamide

Systemtic Name: 2-(3-chlorophenyl)sulfanyl-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-phenethyl-benzamide Openeye Name: 2-(3-chlorophenyl)sulfanyl-5-[(3,5-dimethyl-1-piperidyl)sulfonyl]-N-phenethyl-benzamide CAS Name: 2-[(3-chlorophenyl)thio]-5-[(3,5-dimethyl-1-piperidinyl)sulfonyl]-N-phenethylbenzamide IUPAC Name: 2-(3-chlorophenyl)sulfanyl-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-phenethylbenzamide Traditional Name: 2-[(3-chlorophenyl)thio]-5-(3,5-dimethylpiperidino)sulfonyl-N-phenethyl-benzamide Formula: C28H31ClN2O3S2 MolecularWeight: 543.14034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)SC3=CC(=CC=C3)Cl)C(=O)NCCC4=CC=CC=C4)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)SC3=CC(=CC=C3)Cl)C(=O)NCCC4=CC=CC=C4)C

InChI

InChI=1S/C28H31ClN2O3S2/c1-20-15-21(2)19-31(18-20)36(33,34)25-11-12-27(35-24-10-6-9-23(29)16-24)26(17-25)28(32)30-14-13-22-7-4-3-5-8-22/h3-12,16-17,20-21H,13-15,18-19H2,1-2H3,(H,30,32)