phenacyl 1-(4-methoxy-3-nitro-phenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: phenacyl 1-(4-methoxy-3-nitro-phenyl)sulfonylpiperidine-4-carboxylate Openeye Name: phenacyl 1-(4-methoxy-3-nitro-phenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-methoxy-3-nitrophenyl)sulfonyl-4-piperidinecarboxylic acid phenacyl ester IUPAC Name: phenacyl 1-(4-methoxy-3-nitrophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-methoxy-3-nitro-phenyl)sulfonylisonipecotic acid phenacyl ester Formula: C21H22N2O8S MolecularWeight: 462.47298

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O8S/c1-30-20-8-7-17(13-18(20)23(26)27)32(28,29)22-11-9-16(10-12-22)21(25)31-14-19(24)15-5-3-2-4-6-15/h2-8,13,16H,9-12,14H2,1H3