[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate Openeye Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate CAS Name: 4-(3,5-dimethyl-1-pyrazolyl)benzoic acid [2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate Traditional Name: 4-(3,5-dimethylpyrazol-1-yl)benzoic acid [2-(4-besylpiperazino)-2-keto-ethyl] ester Formula: C24H26N4O5S MolecularWeight: 482.55204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)OCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)OCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C24H26N4O5S/c1-18-16-19(2)28(25-18)21-10-8-20(9-11-21)24(30)33-17-23(29)26-12-14-27(15-13-26)34(31,32)22-6-4-3-5-7-22/h3-11,16H,12-15,17H2,1-2H3