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

Systemtic Name: (4-chloranyl-2-methyl-phenyl) 1-(2-methyl-5-nitro-phenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (4-chloro-2-methyl-phenyl) 1-(2-methyl-5-nitro-phenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinecarboxylic acid (4-chloro-2-methylphenyl) ester IUPAC Name: (4-chloro-2-methylphenyl) 1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-methyl-5-nitro-phenyl)sulfonylisonipecotic acid (4-chloro-2-methyl-phenyl) ester Formula: C20H21ClN2O6S MolecularWeight: 452.90854

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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=C(C=C(C=C3)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O6S/c1-13-3-5-17(23(25)26)12-19(13)30(27,28)22-9-7-15(8-10-22)20(24)29-18-6-4-16(21)11-14(18)2/h3-6,11-12,15H,7-10H2,1-2H3