(3R)-1-[(2S)-2-acetamido-3-(4-chlorophenyl)sulfanyl-propanoyl]piperidine-3-carboxamide

Systemtic Name: (3R)-1-[(2S)-2-acetamido-3-(4-chlorophenyl)sulfanyl-propanoyl]piperidine-3-carboxamide Openeye Name: (3R)-1-[(2S)-2-acetamido-3-(4-chlorophenyl)sulfanyl-propanoyl]piperidine-3-carboxamide CAS Name: (3R)-1-[(2S)-2-acetamido-3-[(4-chlorophenyl)thio]-1-oxopropyl]-3-piperidinecarboxamide IUPAC Name: (3R)-1-[(2S)-2-acetamido-3-(4-chlorophenyl)sulfanylpropanoyl]piperidine-3-carboxamide Traditional Name: (3R)-1-[(2S)-2-acetamido-3-[(4-chlorophenyl)thio]propanoyl]nipecotamide Formula: C17H22ClN3O3S MolecularWeight: 383.89288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=C(C=C1)Cl)C(=O)N2CCCC(C2)C(=O)N

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=C(C=C1)Cl)C(=O)N2CCC[C@H](C2)C(=O)N

InChI

InChI=1S/C17H22ClN3O3S/c1-11(22)20-15(10-25-14-6-4-13(18)5-7-14)17(24)21-8-2-3-12(9-21)16(19)23/h4-7,12,15H,2-3,8-10H2,1H3,(H2,19,23)(H,20,22)/t12-,15-/m1/s1