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

Systemtic Name: (3R)-1-[(2S)-2-acetamido-3-(4-phenoxyphenyl)sulfanyl-propanoyl]piperidine-3-carboxamide Openeye Name: (3R)-1-[(2S)-2-acetamido-3-(4-phenoxyphenyl)sulfanyl-propanoyl]piperidine-3-carboxamide CAS Name: (3R)-1-[(2S)-2-acetamido-1-oxo-3-[(4-phenoxyphenyl)thio]propyl]-3-piperidinecarboxamide IUPAC Name: (3R)-1-[(2S)-2-acetamido-3-(4-phenoxyphenyl)sulfanylpropanoyl]piperidine-3-carboxamide Traditional Name: (3R)-1-[(2S)-2-acetamido-3-[(4-phenoxyphenyl)thio]propanoyl]nipecotamide Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)N3CCCC(C3)C(=O)N

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)N3CCC[C@H](C3)C(=O)N

InChI

InChI=1S/C23H27N3O4S/c1-16(27)25-21(23(29)26-13-5-6-17(14-26)22(24)28)15-31-20-11-9-19(10-12-20)30-18-7-3-2-4-8-18/h2-4,7-12,17,21H,5-6,13-15H2,1H3,(H2,24,28)(H,25,27)/t17-,21-/m1/s1