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

Systemtic Name: phenyl 4-[1-[3-(2-hydroxyphenyl)piperazin-1-yl]-2-(propan-2-ylsulfonylamino)ethyl]benzenesulfonate Openeye Name: phenyl 4-[1-[3-(2-hydroxyphenyl)piperazin-1-yl]-2-(isopropylsulfonylamino)ethyl]benzenesulfonate CAS Name: 4-[1-[3-(2-hydroxyphenyl)-1-piperazinyl]-2-(propan-2-ylsulfonylamino)ethyl]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-[1-[3-(2-hydroxyphenyl)piperazin-1-yl]-2-(propan-2-ylsulfonylamino)ethyl]benzenesulfonate Traditional Name: 4-[1-[3-(2-hydroxyphenyl)piperazino]-2-(isopropylsulfonylamino)ethyl]benzenesulfonic acid phenyl ester Formula: C27H33N3O6S2 MolecularWeight: 559.69742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33N3O6S2/c1-20(2)37(32,33)29-18-26(30-17-16-28-25(19-30)24-10-6-7-11-27(24)31)21-12-14-23(15-13-21)38(34,35)36-22-8-4-3-5-9-22/h3-15,20,25-26,28-29,31H,16-19H2,1-2H3