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

Systemtic Name: phenyl 4-[2-[(2-hydroxyphenyl)amino]-1-(3-methoxypiperazin-1-yl)ethyl]benzenesulfonate Openeye Name: phenyl 4-[2-(2-hydroxyanilino)-1-(3-methoxypiperazin-1-yl)ethyl]benzenesulfonate CAS Name: 4-[2-(2-hydroxyanilino)-1-(3-methoxy-1-piperazinyl)ethyl]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(2-hydroxyanilino)-1-(3-methoxypiperazin-1-yl)ethyl]benzenesulfonate Traditional Name: 4-[2-(2-hydroxyanilino)-1-(3-methoxypiperazino)ethyl]benzenesulfonic acid phenyl ester Formula: C25H29N3O5S MolecularWeight: 483.57986

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Descriptors Computed from Structure

Canonical SMILES:

COC1CN(CCN1)C(CNC2=CC=CC=C2O)C3=CC=C(C=C3)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

COC1CN(CCN1)C(CNC2=CC=CC=C2O)C3=CC=C(C=C3)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O5S/c1-32-25-18-28(16-15-26-25)23(17-27-22-9-5-6-10-24(22)29)19-11-13-21(14-12-19)34(30,31)33-20-7-3-2-4-8-20/h2-14,23,25-27,29H,15-18H2,1H3