[1-oxidanylidene-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-2-yl] 5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate

Systemtic Name: [1-oxidanylidene-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-2-yl] 5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate Openeye Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-1-methyl-2-oxo-ethyl] 5-chloro-1-isobutyl-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrazolecarboxylic acid [1-[4-(benzenesulfonyl)-1-piperazinyl]-1-oxopropan-2-yl] ester IUPAC Name: [1-[4-(benzenesulfonyl)piperazin-1-yl]-1-oxopropan-2-yl] 5-chloro-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate Traditional Name: 5-chloro-1-isobutyl-3-methyl-pyrazole-4-carboxylic acid [2-(4-besylpiperazino)-2-keto-1-methyl-ethyl] ester Formula: C22H29ClN4O5S MolecularWeight: 497.00746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OC(C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)Cl)CC(C)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)OC(C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)Cl)CC(C)C

InChI

InChI=1S/C22H29ClN4O5S/c1-15(2)14-27-20(23)19(16(3)24-27)22(29)32-17(4)21(28)25-10-12-26(13-11-25)33(30,31)18-8-6-5-7-9-18/h5-9,15,17H,10-14H2,1-4H3