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

Systemtic Name: phenyl 4-[1-(3-methoxypiperazin-1-yl)-2-(oxidanylamino)ethyl]benzenesulfonate Openeye Name: phenyl 4-[2-(hydroxyamino)-1-(3-methoxypiperazin-1-yl)ethyl]benzenesulfonate CAS Name: 4-[2-(hydroxyamino)-1-(3-methoxy-1-piperazinyl)ethyl]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(hydroxyamino)-1-(3-methoxypiperazin-1-yl)ethyl]benzenesulfonate Traditional Name: 4-[2-(hydroxyamino)-1-(3-methoxypiperazino)ethyl]benzenesulfonic acid phenyl ester Formula: C19H25N3O5S MolecularWeight: 407.4839

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Descriptors Computed from Structure

Canonical SMILES:

COC1CN(CCN1)C(CNO)C2=CC=C(C=C2)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

COC1CN(CCN1)C(CNO)C2=CC=C(C=C2)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C19H25N3O5S/c1-26-19-14-22(12-11-20-19)18(13-21-23)15-7-9-17(10-8-15)28(24,25)27-16-5-3-2-4-6-16/h2-10,18-21,23H,11-14H2,1H3