[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 5-chloranyl-1-[(2-chlorophenyl)methyl]-3-methyl-pyrazole-4-carboxylate

Systemtic Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 5-chloranyl-1-[(2-chlorophenyl)methyl]-3-methyl-pyrazole-4-carboxylate Openeye Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl] 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-4-pyrazolecarboxylic acid [2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxylate Traditional Name: 5-chloro-1-(2-chlorobenzyl)-3-methyl-pyrazole-4-carboxylic acid [2-keto-2-(4-mesylpiperazino)ethyl] ester Formula: C19H22Cl2N4O5S MolecularWeight: 489.37278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C)Cl)CC3=CC=CC=C3Cl

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C)Cl)CC3=CC=CC=C3Cl

InChI

InChI=1S/C19H22Cl2N4O5S/c1-13-17(18(21)25(22-13)11-14-5-3-4-6-15(14)20)19(27)30-12-16(26)23-7-9-24(10-8-23)31(2,28)29/h3-6H,7-12H2,1-2H3