N-[(2R)-2-benzamidocyclohexyl]-1-(2-phenylsulfanylethanoyl)piperidine-4-carboxamide

Systemtic Name: N-[(2R)-2-benzamidocyclohexyl]-1-(2-phenylsulfanylethanoyl)piperidine-4-carboxamide Openeye Name: N-[(2R)-2-benzamidocyclohexyl]-1-(2-phenylsulfanylacetyl)piperidine-4-carboxamide CAS Name: N-[(2R)-2-benzamidocyclohexyl]-1-[1-oxo-2-(phenylthio)ethyl]-4-piperidinecarboxamide IUPAC Name: N-[(2R)-2-benzamidocyclohexyl]-1-(2-phenylsulfanylacetyl)piperidine-4-carboxamide Traditional Name: N-[(2R)-2-benzamidocyclohexyl]-1-[2-(phenylthio)acetyl]isonipecotamide Formula: C27H33N3O3S MolecularWeight: 479.63422

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)NC(=O)C2CCN(CC2)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)C3CCN(CC3)C(=O)CSC4=CC=CC=C4

InChI

InChI=1S/C27H33N3O3S/c31-25(19-34-22-11-5-2-6-12-22)30-17-15-21(16-18-30)27(33)29-24-14-8-7-13-23(24)28-26(32)20-9-3-1-4-10-20/h1-6,9-12,21,23-24H,7-8,13-19H2,(H,28,32)(H,29,33)/t23-,24?/m1/s1