N-[2-(4-chlorophenyl)sulfanyl-5-[4-(phenylmethyl)piperidin-1-yl]carbonyl-phenyl]ethanamide

Systemtic Name: N-[2-(4-chlorophenyl)sulfanyl-5-[4-(phenylmethyl)piperidin-1-yl]carbonyl-phenyl]ethanamide Openeye Name: N-[5-(4-benzylpiperidine-1-carbonyl)-2-(4-chlorophenyl)sulfanyl-phenyl]acetamide CAS Name: N-[2-[(4-chlorophenyl)thio]-5-[oxo-[4-(phenylmethyl)-1-piperidinyl]methyl]phenyl]acetamide IUPAC Name: N-[5-(4-benzylpiperidine-1-carbonyl)-2-(4-chlorophenyl)sulfanylphenyl]acetamide Traditional Name: N-[5-(4-benzylpiperidine-1-carbonyl)-2-[(4-chlorophenyl)thio]phenyl]acetamide Formula: C27H27ClN2O2S MolecularWeight: 479.03348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)C(=O)N2CCC(CC2)CC3=CC=CC=C3)SC4=CC=C(C=C4)Cl

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)C(=O)N2CCC(CC2)CC3=CC=CC=C3)SC4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H27ClN2O2S/c1-19(31)29-25-18-22(7-12-26(25)33-24-10-8-23(28)9-11-24)27(32)30-15-13-21(14-16-30)17-20-5-3-2-4-6-20/h2-12,18,21H,13-17H2,1H3,(H,29,31)