[3-[4-[3-(4-methylphenyl)sulfonyloxypropanoyl]piperazin-1-yl]-3-oxidanylidene-propyl] 4-methylbenzenesulfonate

Systemtic Name: [3-[4-[3-(4-methylphenyl)sulfonyloxypropanoyl]piperazin-1-yl]-3-oxidanylidene-propyl] 4-methylbenzenesulfonate Openeye Name: [3-oxo-3-[4-[3-(p-tolylsulfonyloxy)propanoyl]piperazin-1-yl]propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-[4-[3-(4-methylphenyl)sulfonyloxy-1-oxopropyl]-1-piperazinyl]-3-oxopropyl] ester IUPAC Name: [3-[4-[3-(4-methylphenyl)sulfonyloxypropanoyl]piperazin-1-yl]-3-oxopropyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-keto-3-[4-(3-tosyloxypropanoyl)piperazino]propyl] ester Formula: C24H30N2O8S2 MolecularWeight: 538.6336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC(=O)N2CCN(CC2)C(=O)CCOS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC(=O)N2CCN(CC2)C(=O)CCOS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C24H30N2O8S2/c1-19-3-7-21(8-4-19)35(29,30)33-17-11-23(27)25-13-15-26(16-14-25)24(28)12-18-34-36(31,32)22-9-5-20(2)6-10-22/h3-10H,11-18H2,1-2H3