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

Systemtic Name: 1-(2,4-dimethyl-5-nitro-phenyl)sulfonylpiperidine-4-carboxylic acid Openeye Name: 1-(2,4-dimethyl-5-nitro-phenyl)sulfonylpiperidine-4-carboxylic acid CAS Name: 1-(2,4-dimethyl-5-nitrophenyl)sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-(2,4-dimethyl-5-nitrophenyl)sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-(2,4-dimethyl-5-nitro-phenyl)sulfonylisonipecotic acid Formula: C14H18N2O6S MolecularWeight: 342.36752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O6S/c1-9-7-10(2)13(8-12(9)16(19)20)23(21,22)15-5-3-11(4-6-15)14(17)18/h7-8,11H,3-6H2,1-2H3,(H,17,18)