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

Systemtic Name: phenyl 4-[3-(2-hydroxyphenyl)piperazin-1-yl]-3-propan-2-ylsulfonyl-benzenesulfonate Openeye Name: phenyl 4-[3-(2-hydroxyphenyl)piperazin-1-yl]-3-isopropylsulfonyl-benzenesulfonate CAS Name: 4-[3-(2-hydroxyphenyl)-1-piperazinyl]-3-propan-2-ylsulfonylbenzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-[3-(2-hydroxyphenyl)piperazin-1-yl]-3-propan-2-ylsulfonylbenzenesulfonate Traditional Name: 4-[3-(2-hydroxyphenyl)piperazino]-3-isopropylsulfonyl-benzenesulfonic acid phenyl ester Formula: C25H28N2O6S2 MolecularWeight: 516.62962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O6S2/c1-18(2)34(29,30)25-16-20(35(31,32)33-19-8-4-3-5-9-19)12-13-23(25)27-15-14-26-22(17-27)21-10-6-7-11-24(21)28/h3-13,16,18,22,26,28H,14-15,17H2,1-2H3