propyl 5-ethanoylsulfanyl-2,6-dimethyl-5-nitro-4-(2-phenylmethoxyphenyl)piperidine-3-carboxylate

Systemtic Name: propyl 5-ethanoylsulfanyl-2,6-dimethyl-5-nitro-4-(2-phenylmethoxyphenyl)piperidine-3-carboxylate Openeye Name: propyl 5-acetylsulfanyl-4-(2-benzyloxyphenyl)-2,6-dimethyl-5-nitro-piperidine-3-carboxylate CAS Name: 5-(acetylthio)-2,6-dimethyl-5-nitro-4-(2-phenylmethoxyphenyl)-3-piperidinecarboxylic acid propyl ester IUPAC Name: propyl 5-acetylsulfanyl-2,6-dimethyl-5-nitro-4-(2-phenylmethoxyphenyl)piperidine-3-carboxylate Traditional Name: 5-(acetylthio)-4-(2-benzoxyphenyl)-2,6-dimethyl-5-nitro-nipecotic acid propyl ester Formula: C26H32N2O6S MolecularWeight: 500.60708

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1C(NC(C(C1C2=CC=CC=C2OCC3=CC=CC=C3)([N+](=O)[O-])SC(=O)C)C)C

Isomeric SMILES

CCCOC(=O)C1C(NC(C(C1C2=CC=CC=C2OCC3=CC=CC=C3)([N+](=O)[O-])SC(=O)C)C)C

InChI

InChI=1S/C26H32N2O6S/c1-5-15-33-25(30)23-17(2)27-18(3)26(28(31)32,35-19(4)29)24(23)21-13-9-10-14-22(21)34-16-20-11-7-6-8-12-20/h6-14,17-18,23-24,27H,5,15-16H2,1-4H3