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

Systemtic Name: phenyl 4-[3-(2-hydroxyphenyl)piperazin-1-yl]-3-propyl-benzenesulfonate Openeye Name: phenyl 4-[3-(2-hydroxyphenyl)piperazin-1-yl]-3-propyl-benzenesulfonate CAS Name: 4-[3-(2-hydroxyphenyl)-1-piperazinyl]-3-propylbenzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-[3-(2-hydroxyphenyl)piperazin-1-yl]-3-propylbenzenesulfonate Traditional Name: 4-[3-(2-hydroxyphenyl)piperazino]-3-propyl-benzenesulfonic acid phenyl ester Formula: C25H28N2O4S MolecularWeight: 452.56582

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)C4=CC=CC=C4O

Isomeric SMILES

CCCC1=C(C=CC(=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)C4=CC=CC=C4O

InChI

InChI=1S/C25H28N2O4S/c1-2-8-19-17-21(32(29,30)31-20-9-4-3-5-10-20)13-14-24(19)27-16-15-26-23(18-27)22-11-6-7-12-25(22)28/h3-7,9-14,17,23,26,28H,2,8,15-16,18H2,1H3