methyl 1-(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonylpiperidine-4-carboxylate Openeye Name: methyl 1-(3-chloro-4-methyl-5-nitro-phenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3-chloro-4-methyl-5-nitrophenyl)sulfonyl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(3-chloro-4-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-chloro-4-methyl-5-nitro-phenyl)sulfonylisonipecotic acid methyl ester Formula: C14H17ClN2O6S MolecularWeight: 376.81258

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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)OC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C14H17ClN2O6S/c1-9-12(15)7-11(8-13(9)17(19)20)24(21,22)16-5-3-10(4-6-16)14(18)23-2/h7-8,10H,3-6H2,1-2H3