3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]-1-(4-methylsulfonylphenyl)pyrazole-4-carboxylic acid

Systemtic Name: 3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]-1-(4-methylsulfonylphenyl)pyrazole-4-carboxylic acid Openeye Name: 3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-1-(4-methylsulfonylphenyl)pyrazole-4-carboxylic acid CAS Name: 3-[[(4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-1-(4-methylsulfonylphenyl)-4-pyrazolecarboxylic acid IUPAC Name: 3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]-1-(4-methylsulfonylphenyl)pyrazole-4-carboxylic acid Traditional Name: 3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-1-(4-mesylphenyl)pyrazole-4-carboxylic acid Formula: C22H29N3O5S MolecularWeight: 447.54776

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2=NN(C=C2C(=O)O)C3=CC=C(C=C3)S(=O)(=O)C)C(C)C

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2=NN(C=C2C(=O)O)C3=CC=C(C=C3)S(=O)(=O)C)C(C)C

InChI

InChI=1S/C22H29N3O5S/c1-14(2)25(21(26)16-7-5-15(3)6-8-16)20-19(22(27)28)13-24(23-20)17-9-11-18(12-10-17)31(4,29)30/h9-16H,5-8H2,1-4H3,(H,27,28)