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

Systemtic Name: phenyl 4-[1-[3-(2-hydroxyphenyl)piperazin-1-yl]-2-(methylsulfanylamino)ethyl]benzenesulfonate Openeye Name: phenyl 4-[1-[3-(2-hydroxyphenyl)piperazin-1-yl]-2-(methylsulfanylamino)ethyl]benzenesulfonate CAS Name: 4-[1-[3-(2-hydroxyphenyl)-1-piperazinyl]-2-[(methylthio)amino]ethyl]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-[1-[3-(2-hydroxyphenyl)piperazin-1-yl]-2-(methylsulfanylamino)ethyl]benzenesulfonate Traditional Name: 4-[1-[3-(2-hydroxyphenyl)piperazino]-2-[(methylthio)amino]ethyl]benzenesulfonic acid phenyl ester Formula: C25H29N3O4S2 MolecularWeight: 499.64546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O4S2/c1-33-27-17-24(28-16-15-26-23(18-28)22-9-5-6-10-25(22)29)19-11-13-21(14-12-19)34(30,31)32-20-7-3-2-4-8-20/h2-14,23-24,26-27,29H,15-18H2,1H3