[2-oxidanylidene-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethyl] 1-methylpyrazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethyl] 1-methylpyrazole-4-carboxylate Openeye Name: [2-oxo-2-[4-[(E)-styryl]sulfonylpiperazin-1-yl]ethyl] 1-methylpyrazole-4-carboxylate CAS Name: 1-methyl-4-pyrazolecarboxylic acid [2-oxo-2-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethyl] 1-methylpyrazole-4-carboxylate Traditional Name: 1-methylpyrazole-4-carboxylic acid [2-keto-2-[4-[(E)-styryl]sulfonylpiperazino]ethyl] ester Formula: C19H22N4O5S MolecularWeight: 418.46678

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O5S/c1-21-14-17(13-20-21)19(25)28-15-18(24)22-8-10-23(11-9-22)29(26,27)12-7-16-5-3-2-4-6-16/h2-7,12-14H,8-11,15H2,1H3/b12-7+