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

Systemtic Name: phenyl 4-[2-[(2-hydroxyphenyl)amino]-1-(3-oxidanylpiperazin-1-yl)ethyl]benzenesulfonate Openeye Name: phenyl 4-[2-(2-hydroxyanilino)-1-(3-hydroxypiperazin-1-yl)ethyl]benzenesulfonate CAS Name: 4-[2-(2-hydroxyanilino)-1-(3-hydroxy-1-piperazinyl)ethyl]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(2-hydroxyanilino)-1-(3-hydroxypiperazin-1-yl)ethyl]benzenesulfonate Traditional Name: 4-[2-(2-hydroxyanilino)-1-(3-hydroxypiperazino)ethyl]benzenesulfonic acid phenyl ester Formula: C24H27N3O5S MolecularWeight: 469.55328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)O)C(CNC2=CC=CC=C2O)C3=CC=C(C=C3)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

C1CN(CC(N1)O)C(CNC2=CC=CC=C2O)C3=CC=C(C=C3)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C24H27N3O5S/c28-23-9-5-4-8-21(23)26-16-22(27-15-14-25-24(29)17-27)18-10-12-20(13-11-18)33(30,31)32-19-6-2-1-3-7-19/h1-13,22,24-26,28-29H,14-17H2