phenyl 3-(2-hydroxyphenyl)-4-(3-oxidanylpiperazin-1-yl)benzenesulfonate

Systemtic Name: phenyl 3-(2-hydroxyphenyl)-4-(3-oxidanylpiperazin-1-yl)benzenesulfonate Openeye Name: phenyl 3-(2-hydroxyphenyl)-4-(3-hydroxypiperazin-1-yl)benzenesulfonate CAS Name: 3-(2-hydroxyphenyl)-4-(3-hydroxy-1-piperazinyl)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-(2-hydroxyphenyl)-4-(3-hydroxypiperazin-1-yl)benzenesulfonate Traditional Name: 3-(2-hydroxyphenyl)-4-(3-hydroxypiperazino)benzenesulfonic acid phenyl ester Formula: C22H22N2O5S MolecularWeight: 426.48548

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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)C4=CC=CC=C4O

Isomeric SMILES

C1CN(CC(N1)O)C2=C(C=C(C=C2)S(=O)(=O)OC3=CC=CC=C3)C4=CC=CC=C4O

InChI

InChI=1S/C22H22N2O5S/c25-21-9-5-4-8-18(21)19-14-17(30(27,28)29-16-6-2-1-3-7-16)10-11-20(19)24-13-12-23-22(26)15-24/h1-11,14,22-23,25-26H,12-13,15H2