phenyl 4-[2-(oxidanylamino)-1-(3-oxidanylpiperazin-1-yl)ethyl]benzenesulfonate

Systemtic Name: phenyl 4-[2-(oxidanylamino)-1-(3-oxidanylpiperazin-1-yl)ethyl]benzenesulfonate Openeye Name: phenyl 4-[2-(hydroxyamino)-1-(3-hydroxypiperazin-1-yl)ethyl]benzenesulfonate CAS Name: 4-[2-(hydroxyamino)-1-(3-hydroxy-1-piperazinyl)ethyl]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(hydroxyamino)-1-(3-hydroxypiperazin-1-yl)ethyl]benzenesulfonate Traditional Name: 4-[2-(hydroxyamino)-1-(3-hydroxypiperazino)ethyl]benzenesulfonic acid phenyl ester Formula: C18H23N3O5S MolecularWeight: 393.45732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O5S/c22-18-13-21(11-10-19-18)17(12-20-23)14-6-8-16(9-7-14)27(24,25)26-15-4-2-1-3-5-15/h1-9,17-20,22-23H,10-13H2