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

Systemtic Name: ethyl 4-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-oxidanylidene-piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-oxo-piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-3-oxo-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-oxopiperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-keto-piperazino]sulfonylbenzoic acid ethyl ester Formula: C24H26N4O5S MolecularWeight: 482.55204

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCNC(=O)C2C3=C(N(N=C3C)C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCNC(=O)C2C3=C(N(N=C3C)C4=CC=CC=C4)C

InChI

InChI=1S/C24H26N4O5S/c1-4-33-24(30)18-10-12-20(13-11-18)34(31,32)27-15-14-25-23(29)22(27)21-16(2)26-28(17(21)3)19-8-6-5-7-9-19/h5-13,22H,4,14-15H2,1-3H3,(H,25,29)