methyl 3-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-oxidanylidene-piperazin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 3-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-oxidanylidene-piperazin-1-yl]sulfonylbenzoate Openeye Name: methyl 3-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-oxo-piperazin-1-yl]sulfonylbenzoate CAS Name: 3-[[2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-3-oxo-1-piperazinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-oxopiperazin-1-yl]sulfonylbenzoate Traditional Name: 3-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-keto-piperazino]sulfonylbenzoic acid methyl ester Formula: C23H24N4O5S MolecularWeight: 468.52546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C3C(=O)NCCN3S(=O)(=O)C4=CC=CC(=C4)C(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C3C(=O)NCCN3S(=O)(=O)C4=CC=CC(=C4)C(=O)OC

InChI

InChI=1S/C23H24N4O5S/c1-15-20(16(2)27(25-15)18-9-5-4-6-10-18)21-22(28)24-12-13-26(21)33(30,31)19-11-7-8-17(14-19)23(29)32-3/h4-11,14,21H,12-13H2,1-3H3,(H,24,28)