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

Systemtic Name: phenyl 4-[2-(ethoxyamino)-1-[3-(2-hydroxyphenyl)piperazin-1-yl]ethyl]benzenesulfonate Openeye Name: phenyl 4-[2-(ethoxyamino)-1-[3-(2-hydroxyphenyl)piperazin-1-yl]ethyl]benzenesulfonate CAS Name: 4-[2-(ethoxyamino)-1-[3-(2-hydroxyphenyl)-1-piperazinyl]ethyl]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(ethoxyamino)-1-[3-(2-hydroxyphenyl)piperazin-1-yl]ethyl]benzenesulfonate Traditional Name: 4-[2-(ethoxyamino)-1-[3-(2-hydroxyphenyl)piperazino]ethyl]benzenesulfonic acid phenyl ester Formula: C26H31N3O5S MolecularWeight: 497.60644

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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)C4=CC=CC=C4O

Isomeric SMILES

CCONCC(C1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)C4=CC=CC=C4O

InChI

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