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

Systemtic Name: 3-[(4-methylcyclohexyl)carbonyl-(1-methylsulfonylpiperidin-4-yl)amino]-1-phenyl-pyrazole-4-carboxylic acid Openeye Name: 3-[(4-methylcyclohexanecarbonyl)-(1-methylsulfonyl-4-piperidyl)amino]-1-phenyl-pyrazole-4-carboxylic acid CAS Name: 3-[[(4-methylcyclohexyl)-oxomethyl]-(1-methylsulfonyl-4-piperidinyl)amino]-1-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 3-[(4-methylcyclohexanecarbonyl)-(1-methylsulfonylpiperidin-4-yl)amino]-1-phenylpyrazole-4-carboxylic acid Traditional Name: 3-[(1-mesyl-4-piperidyl)-(4-methylcyclohexanecarbonyl)amino]-1-phenyl-pyrazole-4-carboxylic acid Formula: C24H32N4O5S MolecularWeight: 488.59968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32N4O5S/c1-17-8-10-18(11-9-17)23(29)28(20-12-14-26(15-13-20)34(2,32)33)22-21(24(30)31)16-27(25-22)19-6-4-3-5-7-19/h3-7,16-18,20H,8-15H2,1-2H3,(H,30,31)