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

Systemtic Name: phenyl 4-[2-[(2-hydroxyphenyl)amino]-1-(3-propan-2-ylsulfonylpiperazin-1-yl)ethyl]benzenesulfonate Openeye Name: phenyl 4-[2-(2-hydroxyanilino)-1-(3-isopropylsulfonylpiperazin-1-yl)ethyl]benzenesulfonate CAS Name: 4-[2-(2-hydroxyanilino)-1-(3-propan-2-ylsulfonyl-1-piperazinyl)ethyl]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(2-hydroxyanilino)-1-(3-propan-2-ylsulfonylpiperazin-1-yl)ethyl]benzenesulfonate Traditional Name: 4-[2-(2-hydroxyanilino)-1-(3-isopropylsulfonylpiperazino)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)C1CN(CCN1)C(CNC2=CC=CC=C2O)C3=CC=C(C=C3)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CC(C)S(=O)(=O)C1CN(CCN1)C(CNC2=CC=CC=C2O)C3=CC=C(C=C3)S(=O)(=O)OC4=CC=CC=C4

InChI

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