[2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 1-methylpyrazole-4-carboxylate

Systemtic Name: [2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 1-methylpyrazole-4-carboxylate Openeye Name: [2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl] 1-methylpyrazole-4-carboxylate CAS Name: 1-methyl-4-pyrazolecarboxylic acid [2-[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 1-methylpyrazole-4-carboxylate Traditional Name: 1-methylpyrazole-4-carboxylic acid [2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazino]-2-keto-ethyl] ester Formula: C19H24N4O7S MolecularWeight: 452.48146

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CN1C=C(C=N1)C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C19H24N4O7S/c1-21-12-14(11-20-21)19(25)30-13-18(24)22-6-8-23(9-7-22)31(26,27)15-4-5-16(28-2)17(10-15)29-3/h4-5,10-12H,6-9,13H2,1-3H3