1-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]cyclohexane-1-carboxylic acid

Systemtic Name: 1-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]cyclohexane-1-carboxylic acid Openeye Name: 1-[[1-(p-tolylsulfonyl)piperidine-4-carbonyl]amino]cyclohexanecarboxylic acid CAS Name: 1-[[[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]cyclohexane-1-carboxylic acid Traditional Name: 1-[(1-tosylisonipecotoyl)amino]cyclohexanecarboxylic acid Formula: C20H28N2O5S MolecularWeight: 408.51172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3(CCCCC3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3(CCCCC3)C(=O)O

InChI

InChI=1S/C20H28N2O5S/c1-15-5-7-17(8-6-15)28(26,27)22-13-9-16(10-14-22)18(23)21-20(19(24)25)11-3-2-4-12-20/h5-8,16H,2-4,9-14H2,1H3,(H,21,23)(H,24,25)