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

Systemtic Name: (3R)-1-[(2S)-2-acetamido-3-(4-methoxyphenyl)sulfanyl-propanoyl]piperidine-3-carboxamide Openeye Name: (3R)-1-[(2S)-2-acetamido-3-(4-methoxyphenyl)sulfanyl-propanoyl]piperidine-3-carboxamide CAS Name: (3R)-1-[(2S)-2-acetamido-3-[(4-methoxyphenyl)thio]-1-oxopropyl]-3-piperidinecarboxamide IUPAC Name: (3R)-1-[(2S)-2-acetamido-3-(4-methoxyphenyl)sulfanylpropanoyl]piperidine-3-carboxamide Traditional Name: (3R)-1-[(2S)-2-acetamido-3-[(4-methoxyphenyl)thio]propanoyl]nipecotamide Formula: C18H25N3O4S MolecularWeight: 379.4738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O4S/c1-12(22)20-16(11-26-15-7-5-14(25-2)6-8-15)18(24)21-9-3-4-13(10-21)17(19)23/h5-8,13,16H,3-4,9-11H2,1-2H3,(H2,19,23)(H,20,22)/t13-,16-/m1/s1