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

Systemtic Name: (3R)-1-[(2S)-2-acetamido-3-(3-chloranyl-4-methyl-phenyl)sulfanyl-propanoyl]piperidine-3-carboxamide Openeye Name: (3R)-1-[(2S)-2-acetamido-3-(3-chloro-4-methyl-phenyl)sulfanyl-propanoyl]piperidine-3-carboxamide CAS Name: (3R)-1-[(2S)-2-acetamido-3-[(3-chloro-4-methylphenyl)thio]-1-oxopropyl]-3-piperidinecarboxamide IUPAC Name: (3R)-1-[(2S)-2-acetamido-3-(3-chloro-4-methylphenyl)sulfanylpropanoyl]piperidine-3-carboxamide Traditional Name: (3R)-1-[(2S)-2-acetamido-3-[(3-chloro-4-methyl-phenyl)thio]propanoyl]nipecotamide Formula: C18H24ClN3O3S MolecularWeight: 397.91946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC(C(=O)N2CCCC(C2)C(=O)N)NC(=O)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)SC[C@H](C(=O)N2CCC[C@H](C2)C(=O)N)NC(=O)C)Cl

InChI

InChI=1S/C18H24ClN3O3S/c1-11-5-6-14(8-15(11)19)26-10-16(21-12(2)23)18(25)22-7-3-4-13(9-22)17(20)24/h5-6,8,13,16H,3-4,7,9-10H2,1-2H3,(H2,20,24)(H,21,23)/t13-,16-/m1/s1