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

Systemtic Name: phenyl 4-[2-(chloranylamino)-1-(3-oxidanylpiperazin-1-yl)ethyl]benzenesulfonate Openeye Name: phenyl 4-[2-(chloroamino)-1-(3-hydroxypiperazin-1-yl)ethyl]benzenesulfonate CAS Name: 4-[2-(chloroamino)-1-(3-hydroxy-1-piperazinyl)ethyl]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(chloroamino)-1-(3-hydroxypiperazin-1-yl)ethyl]benzenesulfonate Traditional Name: 4-[2-(chloroamino)-1-(3-hydroxypiperazino)ethyl]benzenesulfonic acid phenyl ester Formula: C18H22ClN3O4S MolecularWeight: 411.90298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClN3O4S/c19-21-12-17(22-11-10-20-18(23)13-22)14-6-8-16(9-7-14)27(24,25)26-15-4-2-1-3-5-15/h1-9,17-18,20-21,23H,10-13H2