[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 5-phenyl-1H-pyrazole-4-carboxylate

Systemtic Name: [2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 5-phenyl-1H-pyrazole-4-carboxylate Openeye Name: [2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl] 5-phenyl-1H-pyrazole-4-carboxylate CAS Name: 5-phenyl-1H-pyrazole-4-carboxylic acid [2-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 5-phenyl-1H-pyrazole-4-carboxylate Traditional Name: 5-phenyl-1H-pyrazole-4-carboxylic acid [2-[4-(4-chlorophenyl)sulfonylpiperazino]-2-keto-ethyl] ester Formula: C22H21ClN4O5S MolecularWeight: 488.94394

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC(=O)C2=C(NN=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1C(=O)COC(=O)C2=C(NN=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H21ClN4O5S/c23-17-6-8-18(9-7-17)33(30,31)27-12-10-26(11-13-27)20(28)15-32-22(29)19-14-24-25-21(19)16-4-2-1-3-5-16/h1-9,14H,10-13,15H2,(H,24,25)