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

Systemtic Name: phenyl 4-[1-(3-ethoxypiperazin-1-yl)-2-[(2-hydroxyphenyl)amino]ethyl]benzenesulfonate Openeye Name: phenyl 4-[1-(3-ethoxypiperazin-1-yl)-2-(2-hydroxyanilino)ethyl]benzenesulfonate CAS Name: 4-[1-(3-ethoxy-1-piperazinyl)-2-(2-hydroxyanilino)ethyl]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-[1-(3-ethoxypiperazin-1-yl)-2-(2-hydroxyanilino)ethyl]benzenesulfonate Traditional Name: 4-[1-(3-ethoxypiperazino)-2-(2-hydroxyanilino)ethyl]benzenesulfonic acid phenyl ester Formula: C26H31N3O5S MolecularWeight: 497.60644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1CN(CCN1)C(CNC2=CC=CC=C2O)C3=CC=C(C=C3)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CCOC1CN(CCN1)C(CNC2=CC=CC=C2O)C3=CC=C(C=C3)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C26H31N3O5S/c1-2-33-26-19-29(17-16-27-26)24(18-28-23-10-6-7-11-25(23)30)20-12-14-22(15-13-20)35(31,32)34-21-8-4-3-5-9-21/h3-15,24,26-28,30H,2,16-19H2,1H3