1-[4-(methylamino)-3-nitro-phenyl]sulfonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[4-(methylamino)-3-nitro-phenyl]sulfonylpiperidine-4-carboxylic acid Openeye Name: 1-[4-(methylamino)-3-nitro-phenyl]sulfonylpiperidine-4-carboxylic acid CAS Name: 1-[4-(methylamino)-3-nitrophenyl]sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-[4-(methylamino)-3-nitrophenyl]sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-[4-(methylamino)-3-nitro-phenyl]sulfonylisonipecotic acid Formula: C13H17N3O6S MolecularWeight: 343.35558

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)O)[N+](=O)[O-]

InChI

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