phenyl 4-[1-(3-ethoxypiperazin-1-yl)-2-(phenoxysulfonylamino)ethyl]benzenesulfonate

Systemtic Name: phenyl 4-[1-(3-ethoxypiperazin-1-yl)-2-(phenoxysulfonylamino)ethyl]benzenesulfonate Openeye Name: phenyl 4-[1-(3-ethoxypiperazin-1-yl)-2-(phenoxysulfonylamino)ethyl]benzenesulfonate CAS Name: 4-[1-(3-ethoxy-1-piperazinyl)-2-(phenoxysulfonylamino)ethyl]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-[1-(3-ethoxypiperazin-1-yl)-2-(phenoxysulfonylamino)ethyl]benzenesulfonate Traditional Name: 4-[1-(3-ethoxypiperazino)-2-(phenoxysulfonylamino)ethyl]benzenesulfonic acid phenyl ester Formula: C26H31N3O7S2 MolecularWeight: 561.67024

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1CN(CCN1)C(CNS(=O)(=O)OC2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CCOC1CN(CCN1)C(CNS(=O)(=O)OC2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C26H31N3O7S2/c1-2-34-26-20-29(18-17-27-26)25(19-28-38(32,33)36-23-11-7-4-8-12-23)21-13-15-24(16-14-21)37(30,31)35-22-9-5-3-6-10-22/h3-16,25-28H,2,17-20H2,1H3