N-[(2R)-2-benzamidocyclohexyl]-1-(2-phenylsulfanylethanoyl)piperidine-3-carboxamide

Systemtic Name: N-[(2R)-2-benzamidocyclohexyl]-1-(2-phenylsulfanylethanoyl)piperidine-3-carboxamide Openeye Name: N-[(2R)-2-benzamidocyclohexyl]-1-(2-phenylsulfanylacetyl)piperidine-3-carboxamide CAS Name: N-[(2R)-2-benzamidocyclohexyl]-1-[1-oxo-2-(phenylthio)ethyl]-3-piperidinecarboxamide IUPAC Name: N-[(2R)-2-benzamidocyclohexyl]-1-(2-phenylsulfanylacetyl)piperidine-3-carboxamide Traditional Name: N-[(2R)-2-benzamidocyclohexyl]-1-[2-(phenylthio)acetyl]nipecotamide Formula: C27H33N3O3S MolecularWeight: 479.63422

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)NC(=O)C2CCCN(C2)C(=O)CSC3=CC=CC=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCC([C@@H](C1)NC(=O)C2=CC=CC=C2)NC(=O)C3CCCN(C3)C(=O)CSC4=CC=CC=C4

InChI

InChI=1S/C27H33N3O3S/c31-25(19-34-22-13-5-2-6-14-22)30-17-9-12-21(18-30)27(33)29-24-16-8-7-15-23(24)28-26(32)20-10-3-1-4-11-20/h1-6,10-11,13-14,21,23-24H,7-9,12,15-19H2,(H,28,32)(H,29,33)/t21?,23-,24?/m1/s1