phenyl 4-(3-oxidanylpiperazin-1-yl)-3-(phenylsulfonyl)benzenesulfonate

Systemtic Name: phenyl 4-(3-oxidanylpiperazin-1-yl)-3-(phenylsulfonyl)benzenesulfonate Openeye Name: phenyl 3-(benzenesulfonyl)-4-(3-hydroxypiperazin-1-yl)benzenesulfonate CAS Name: 3-(benzenesulfonyl)-4-(3-hydroxy-1-piperazinyl)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-(benzenesulfonyl)-4-(3-hydroxypiperazin-1-yl)benzenesulfonate Traditional Name: 3-besyl-4-(3-hydroxypiperazino)benzenesulfonic acid phenyl ester Formula: C22H22N2O6S2 MolecularWeight: 474.54988

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)O)C2=C(C=C(C=C2)S(=O)(=O)OC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC(N1)O)C2=C(C=C(C=C2)S(=O)(=O)OC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

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