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

Systemtic Name: phenyl 4-[3-(2-hydroxyphenyl)piperazin-1-yl]-3-(2-methylpropyl)benzenesulfonate Openeye Name: phenyl 4-[3-(2-hydroxyphenyl)piperazin-1-yl]-3-isobutyl-benzenesulfonate CAS Name: 4-[3-(2-hydroxyphenyl)-1-piperazinyl]-3-(2-methylpropyl)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-[3-(2-hydroxyphenyl)piperazin-1-yl]-3-(2-methylpropyl)benzenesulfonate Traditional Name: 4-[3-(2-hydroxyphenyl)piperazino]-3-isobutyl-benzenesulfonic acid phenyl ester Formula: C26H30N2O4S MolecularWeight: 466.5924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O4S/c1-19(2)16-20-17-22(33(30,31)32-21-8-4-3-5-9-21)12-13-25(20)28-15-14-27-24(18-28)23-10-6-7-11-26(23)29/h3-13,17,19,24,27,29H,14-16,18H2,1-2H3