1-(3-carboxylato-4-methyl-phenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: 1-(3-carboxylato-4-methyl-phenyl)sulfonylpiperidine-4-carboxylate Openeye Name: 1-(3-carboxylato-4-methyl-phenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3-carboxylato-4-methylphenyl)sulfonyl-4-piperidinecarboxylate IUPAC Name: 1-(3-carboxylato-4-methylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-carboxylato-4-methyl-phenyl)sulfonylisonipecotate Formula: C14H15NO6S-2 MolecularWeight: 325.337

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO6S/c1-9-2-3-11(8-12(9)14(18)19)22(20,21)15-6-4-10(5-7-15)13(16)17/h2-3,8,10H,4-7H2,1H3,(H,16,17)(H,18,19)/p-2