1-[3-(cyclohexylcarbamoyl)-4-methyl-phenyl]sulfonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[3-(cyclohexylcarbamoyl)-4-methyl-phenyl]sulfonylpiperidine-4-carboxylic acid Openeye Name: 1-[3-(cyclohexylcarbamoyl)-4-methyl-phenyl]sulfonylpiperidine-4-carboxylic acid CAS Name: 1-[3-[(cyclohexylamino)-oxomethyl]-4-methylphenyl]sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-[3-(cyclohexylcarbamoyl)-4-methylphenyl]sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-[3-(cyclohexylcarbamoyl)-4-methyl-phenyl]sulfonylisonipecotic acid Formula: C20H28N2O5S MolecularWeight: 408.51172

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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)NC3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)O)C(=O)NC3CCCCC3

InChI

InChI=1S/C20H28N2O5S/c1-14-7-8-17(13-18(14)19(23)21-16-5-3-2-4-6-16)28(26,27)22-11-9-15(10-12-22)20(24)25/h7-8,13,15-16H,2-6,9-12H2,1H3,(H,21,23)(H,24,25)