(1-phenylpyrazol-4-yl)methyl 4-oxidanylidene-4-[4-(phenylsulfonyl)piperazin-1-yl]butanoate

Systemtic Name: (1-phenylpyrazol-4-yl)methyl 4-oxidanylidene-4-[4-(phenylsulfonyl)piperazin-1-yl]butanoate Openeye Name: (1-phenylpyrazol-4-yl)methyl 4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxo-butanoate CAS Name: 4-[4-(benzenesulfonyl)-1-piperazinyl]-4-oxobutanoic acid (1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (1-phenylpyrazol-4-yl)methyl 4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxobutanoate Traditional Name: 4-(4-besylpiperazino)-4-keto-butyric acid (1-phenylpyrazol-4-yl)methyl ester Formula: C24H26N4O5S MolecularWeight: 482.55204

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC(=O)OCC2=CN(N=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)CCC(=O)OCC2=CN(N=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H26N4O5S/c29-23(26-13-15-27(16-14-26)34(31,32)22-9-5-2-6-10-22)11-12-24(30)33-19-20-17-25-28(18-20)21-7-3-1-4-8-21/h1-10,17-18H,11-16,19H2