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

Systemtic Name: phenyl 4-[2-(ethoxyamino)-1-(3-oxidanylpiperazin-1-yl)ethyl]benzenesulfonate Openeye Name: phenyl 4-[2-(ethoxyamino)-1-(3-hydroxypiperazin-1-yl)ethyl]benzenesulfonate CAS Name: 4-[2-(ethoxyamino)-1-(3-hydroxy-1-piperazinyl)ethyl]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(ethoxyamino)-1-(3-hydroxypiperazin-1-yl)ethyl]benzenesulfonate Traditional Name: 4-[2-(ethoxyamino)-1-(3-hydroxypiperazino)ethyl]benzenesulfonic acid phenyl ester Formula: C20H27N3O5S MolecularWeight: 421.51048

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Descriptors Computed from Structure

Canonical SMILES:

CCONCC(C1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)O

Isomeric SMILES

CCONCC(C1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)O

InChI

InChI=1S/C20H27N3O5S/c1-2-27-22-14-19(23-13-12-21-20(24)15-23)16-8-10-18(11-9-16)29(25,26)28-17-6-4-3-5-7-17/h3-11,19-22,24H,2,12-15H2,1H3