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

Systemtic Name: (4-methoxycarbonylphenyl)methyl 1-(2-chloranyl-5-nitro-phenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (4-methoxycarbonylphenyl)methyl 1-(2-chloro-5-nitro-phenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2-chloro-5-nitrophenyl)sulfonyl-4-piperidinecarboxylic acid (4-methoxycarbonylphenyl)methyl ester IUPAC Name: (4-methoxycarbonylphenyl)methyl 1-(2-chloro-5-nitrophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-chloro-5-nitro-phenyl)sulfonylisonipecotic acid (4-carbomethoxybenzyl) ester Formula: C21H21ClN2O8S MolecularWeight: 496.91804

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)COC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)COC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H21ClN2O8S/c1-31-20(25)15-4-2-14(3-5-15)13-32-21(26)16-8-10-23(11-9-16)33(29,30)19-12-17(24(27)28)6-7-18(19)22/h2-7,12,16H,8-11,13H2,1H3