1-(2-methyl-5-nitro-phenyl)sulfonylpiperidine-4-carboxylic acid

Systemtic Name: 1-(2-methyl-5-nitro-phenyl)sulfonylpiperidine-4-carboxylic acid Openeye Name: 1-(2-methyl-5-nitro-phenyl)sulfonylpiperidine-4-carboxylic acid CAS Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-(2-methyl-5-nitro-phenyl)sulfonylisonipecotic acid Formula: C13H16N2O6S MolecularWeight: 328.34094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)O

InChI

InChI=1S/C13H16N2O6S/c1-9-2-3-11(15(18)19)8-12(9)22(20,21)14-6-4-10(5-7-14)13(16)17/h2-3,8,10H,4-7H2,1H3,(H,16,17)