1-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]carbonylamino]cyclohexane-1-carboxylic acid

Systemtic Name: 1-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]carbonylamino]cyclohexane-1-carboxylic acid Openeye Name: 1-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]cyclohexanecarboxylic acid CAS Name: 1-[[[1-(3,4-dimethoxyphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]cyclohexane-1-carboxylic acid Traditional Name: 1-[[1-(3,4-dimethoxyphenyl)sulfonylisonipecotoyl]amino]cyclohexanecarboxylic acid Formula: C21H30N2O7S MolecularWeight: 454.5371

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3(CCCCC3)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3(CCCCC3)C(=O)O)OC

InChI

InChI=1S/C21H30N2O7S/c1-29-17-7-6-16(14-18(17)30-2)31(27,28)23-12-8-15(9-13-23)19(24)22-21(20(25)26)10-4-3-5-11-21/h6-7,14-15H,3-5,8-13H2,1-2H3,(H,22,24)(H,25,26)