phenyl 5-ethoxy-2-[3-(phenylsulfonyl)piperazin-1-yl]benzenesulfonate

Systemtic Name: phenyl 5-ethoxy-2-[3-(phenylsulfonyl)piperazin-1-yl]benzenesulfonate Openeye Name: phenyl 2-[3-(benzenesulfonyl)piperazin-1-yl]-5-ethoxy-benzenesulfonate CAS Name: 2-[3-(benzenesulfonyl)-1-piperazinyl]-5-ethoxybenzenesulfonic acid phenyl ester IUPAC Name: phenyl 2-[3-(benzenesulfonyl)piperazin-1-yl]-5-ethoxybenzenesulfonate Traditional Name: 2-(3-besylpiperazino)-5-ethoxy-benzenesulfonic acid phenyl ester Formula: C24H26N2O6S2 MolecularWeight: 502.60304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)N2CCNC(C2)S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC(=C(C=C1)N2CCNC(C2)S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C24H26N2O6S2/c1-2-31-20-13-14-22(23(17-20)34(29,30)32-19-9-5-3-6-10-19)26-16-15-25-24(18-26)33(27,28)21-11-7-4-8-12-21/h3-14,17,24-25H,2,15-16,18H2,1H3