[2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-(2-piperazin-1-ylethylamino)butanoate

Systemtic Name: [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-(2-piperazin-1-ylethylamino)butanoate Openeye Name: [2-oxo-2-[4-(p-tolylsulfonyloxy)phenyl]ethyl] 4-oxo-4-(2-piperazin-1-ylethylamino)butanoate CAS Name: 4-oxo-4-[2-(1-piperazinyl)ethylamino]butanoic acid [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxoethyl] 4-oxo-4-(2-piperazin-1-ylethylamino)butanoate Traditional Name: 4-keto-4-(2-piperazinoethylamino)butyric acid [2-keto-2-(4-tosyloxyphenyl)ethyl] ester Formula: C25H31N3O7S MolecularWeight: 517.59454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=O)COC(=O)CCC(=O)NCCN3CCNCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=O)COC(=O)CCC(=O)NCCN3CCNCC3

InChI

InChI=1S/C25H31N3O7S/c1-19-2-8-22(9-3-19)36(32,33)35-21-6-4-20(5-7-21)23(29)18-34-25(31)11-10-24(30)27-14-17-28-15-12-26-13-16-28/h2-9,26H,10-18H2,1H3,(H,27,30)