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

Systemtic Name: methyl 1-(2-methyl-3-nitro-phenyl)sulfonylpiperidine-4-carboxylate Openeye Name: methyl 1-(2-methyl-3-nitro-phenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2-methyl-3-nitrophenyl)sulfonyl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(2-methyl-3-nitrophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-methyl-3-nitro-phenyl)sulfonylisonipecotic acid methyl ester Formula: C14H18N2O6S MolecularWeight: 342.36752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C14H18N2O6S/c1-10-12(16(18)19)4-3-5-13(10)23(20,21)15-8-6-11(7-9-15)14(17)22-2/h3-5,11H,6-9H2,1-2H3