phenyl 5-oxidanyl-2-(3-oxidanylpiperazin-1-yl)benzenesulfonate

Systemtic Name: phenyl 5-oxidanyl-2-(3-oxidanylpiperazin-1-yl)benzenesulfonate Openeye Name: phenyl 5-hydroxy-2-(3-hydroxypiperazin-1-yl)benzenesulfonate CAS Name: 5-hydroxy-2-(3-hydroxy-1-piperazinyl)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 5-hydroxy-2-(3-hydroxypiperazin-1-yl)benzenesulfonate Traditional Name: 5-hydroxy-2-(3-hydroxypiperazino)benzenesulfonic acid phenyl ester Formula: C16H18N2O5S MolecularWeight: 350.38952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O5S/c19-12-6-7-14(18-9-8-17-16(20)11-18)15(10-12)24(21,22)23-13-4-2-1-3-5-13/h1-7,10,16-17,19-20H,8-9,11H2