(4-aminocarbonyl-2-nitro-phenyl)methyl 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C15H19N3O7S MolecularWeight: 385.39226

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C15H19N3O7S/c1-26(23,24)17-6-4-10(5-7-17)15(20)25-9-12-3-2-11(14(16)19)8-13(12)18(21)22/h2-3,8,10H,4-7,9H2,1H3,(H2,16,19)