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

Systemtic Name: phenyl 4-[3-(2-hydroxyphenyl)piperazin-1-yl]-3-methyl-benzenesulfonate Openeye Name: phenyl 4-[3-(2-hydroxyphenyl)piperazin-1-yl]-3-methyl-benzenesulfonate CAS Name: 4-[3-(2-hydroxyphenyl)-1-piperazinyl]-3-methylbenzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-[3-(2-hydroxyphenyl)piperazin-1-yl]-3-methylbenzenesulfonate Traditional Name: 4-[3-(2-hydroxyphenyl)piperazino]-3-methyl-benzenesulfonic acid phenyl ester Formula: C23H24N2O4S MolecularWeight: 424.51266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)C4=CC=CC=C4O

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)C4=CC=CC=C4O

InChI

InChI=1S/C23H24N2O4S/c1-17-15-19(30(27,28)29-18-7-3-2-4-8-18)11-12-22(17)25-14-13-24-21(16-25)20-9-5-6-10-23(20)26/h2-12,15,21,24,26H,13-14,16H2,1H3