methyl 1-(2,3-dimethyl-5-nitro-phenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-(2,3-dimethyl-5-nitro-phenyl)sulfonylpiperidine-4-carboxylate Openeye Name: methyl 1-(2,3-dimethyl-5-nitro-phenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2,3-dimethyl-5-nitrophenyl)sulfonyl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(2,3-dimethyl-5-nitrophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2,3-dimethyl-5-nitro-phenyl)sulfonylisonipecotic acid methyl ester Formula: C15H20N2O6S MolecularWeight: 356.3941

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C15H20N2O6S/c1-10-8-13(17(19)20)9-14(11(10)2)24(21,22)16-6-4-12(5-7-16)15(18)23-3/h8-9,12H,4-7H2,1-3H3