1-(4-methylcyclohexen-1-yl)-3-[(4-methylcyclohexyl)carbonyl-(1-methylsulfonylpiperidin-4-yl)amino]pyrazole-4-carboxylic acid

Systemtic Name: 1-(4-methylcyclohexen-1-yl)-3-[(4-methylcyclohexyl)carbonyl-(1-methylsulfonylpiperidin-4-yl)amino]pyrazole-4-carboxylic acid Openeye Name: 3-[(4-methylcyclohexanecarbonyl)-(1-methylsulfonyl-4-piperidyl)amino]-1-(4-methylcyclohexen-1-yl)pyrazole-4-carboxylic acid CAS Name: 1-(4-methyl-1-cyclohexenyl)-3-[[(4-methylcyclohexyl)-oxomethyl]-(1-methylsulfonyl-4-piperidinyl)amino]-4-pyrazolecarboxylic acid IUPAC Name: 3-[(4-methylcyclohexanecarbonyl)-(1-methylsulfonylpiperidin-4-yl)amino]-1-(4-methylcyclohexen-1-yl)pyrazole-4-carboxylic acid Traditional Name: 3-[(1-mesyl-4-piperidyl)-(4-methylcyclohexanecarbonyl)amino]-1-(4-methylcyclohexen-1-yl)pyrazole-4-carboxylic acid Formula: C25H38N4O5S MolecularWeight: 506.65802

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2CCN(CC2)S(=O)(=O)C)C3=NN(C=C3C(=O)O)C4=CCC(CC4)C

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2CCN(CC2)S(=O)(=O)C)C3=NN(C=C3C(=O)O)C4=CCC(CC4)C

InChI

InChI=1S/C25H38N4O5S/c1-17-4-8-19(9-5-17)24(30)29(21-12-14-27(15-13-21)35(3,33)34)23-22(25(31)32)16-28(26-23)20-10-6-18(2)7-11-20/h10,16-19,21H,4-9,11-15H2,1-3H3,(H,31,32)