methyl 1-(2-nitro-4-sulfamoyl-phenyl)piperidine-4-carboxylate

Systemtic Name: methyl 1-(2-nitro-4-sulfamoyl-phenyl)piperidine-4-carboxylate Openeye Name: methyl 1-(2-nitro-4-sulfamoyl-phenyl)piperidine-4-carboxylate CAS Name: 1-(2-nitro-4-sulfamoylphenyl)-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(2-nitro-4-sulfamoylphenyl)piperidine-4-carboxylate Traditional Name: 1-(2-nitro-4-sulfamoyl-phenyl)isonipecotic acid methyl ester Formula: C13H17N3O6S MolecularWeight: 343.35558

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O6S/c1-22-13(17)9-4-6-15(7-5-9)11-3-2-10(23(14,20)21)8-12(11)16(18)19/h2-3,8-9H,4-7H2,1H3,(H2,14,20,21)