(4-methoxycarbonylphenyl) 1-(2-methyl-5-nitro-phenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (4-methoxycarbonylphenyl) 1-(2-methyl-5-nitro-phenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (4-methoxycarbonylphenyl) 1-(2-methyl-5-nitro-phenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinecarboxylic acid (4-methoxycarbonylphenyl) ester IUPAC Name: (4-methoxycarbonylphenyl) 1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-methyl-5-nitro-phenyl)sulfonylisonipecotic acid (4-carbomethoxyphenyl) ester Formula: C21H22N2O8S MolecularWeight: 462.47298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)OC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)OC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H22N2O8S/c1-14-3-6-17(23(26)27)13-19(14)32(28,29)22-11-9-16(10-12-22)21(25)31-18-7-4-15(5-8-18)20(24)30-2/h3-8,13,16H,9-12H2,1-2H3