[2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 3-(4-methylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: [2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 3-(4-methylpiperazin-1-yl)sulfonylbenzoate Openeye Name: [2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] 3-(4-methylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(4-methyl-1-piperazinyl)sulfonyl]benzoic acid [2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] ester IUPAC Name: [2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3-(4-methylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-methylpiperazino)sulfonylbenzoic acid [2-keto-2-[5-(4-methoxyphenyl)-3-phenyl-2-pyrazolin-1-yl]ethyl] ester Formula: C30H32N4O6S MolecularWeight: 576.66328

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)N3C(CC(=N3)C4=CC=CC=C4)C5=CC=C(C=C5)OC

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)N3C(CC(=N3)C4=CC=CC=C4)C5=CC=C(C=C5)OC

InChI

InChI=1S/C30H32N4O6S/c1-32-15-17-33(18-16-32)41(37,38)26-10-6-9-24(19-26)30(36)40-21-29(35)34-28(23-11-13-25(39-2)14-12-23)20-27(31-34)22-7-4-3-5-8-22/h3-14,19,28H,15-18,20-21H2,1-2H3