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

Systemtic Name: phenyl 5-oxidanyl-2-[3-(phenylsulfonyl)piperazin-1-yl]benzenesulfonate Openeye Name: phenyl 2-[3-(benzenesulfonyl)piperazin-1-yl]-5-hydroxy-benzenesulfonate CAS Name: 2-[3-(benzenesulfonyl)-1-piperazinyl]-5-hydroxybenzenesulfonic acid phenyl ester IUPAC Name: phenyl 2-[3-(benzenesulfonyl)piperazin-1-yl]-5-hydroxybenzenesulfonate Traditional Name: 2-(3-besylpiperazino)-5-hydroxy-benzenesulfonic acid phenyl ester Formula: C22H22N2O6S2 MolecularWeight: 474.54988

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)S(=O)(=O)C2=CC=CC=C2)C3=C(C=C(C=C3)O)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

C1CN(CC(N1)S(=O)(=O)C2=CC=CC=C2)C3=C(C=C(C=C3)O)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C22H22N2O6S2/c25-17-11-12-20(21(15-17)32(28,29)30-18-7-3-1-4-8-18)24-14-13-23-22(16-24)31(26,27)19-9-5-2-6-10-19/h1-12,15,22-23,25H,13-14,16H2