3-(2-hydroxyphenyl)-1-[5-(2-methylpropyl)-2-(methylsulfanylsulfonylamino)phenyl]piperazine

Systemtic Name: 3-(2-hydroxyphenyl)-1-[5-(2-methylpropyl)-2-(methylsulfanylsulfonylamino)phenyl]piperazine Openeye Name: 3-(2-hydroxyphenyl)-1-[5-isobutyl-2-(methylsulfanylsulfonylamino)phenyl]piperazine CAS Name: 3-(2-hydroxyphenyl)-1-[5-(2-methylpropyl)-2-[(methylthio)sulfonylamino]phenyl]piperazine IUPAC Name: 3-(2-hydroxyphenyl)-1-[5-(2-methylpropyl)-2-(methylsulfanylsulfonylamino)phenyl]piperazine Traditional Name: 3-(2-hydroxyphenyl)-1-[5-isobutyl-2-[(methylthio)sulfonylamino]phenyl]piperazine Formula: C21H29N3O3S2 MolecularWeight: 435.60326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC(=C(C=C1)NS(=O)(=O)SC)N2CCNC(C2)C3=CC=CC=C3O

Isomeric SMILES

CC(C)CC1=CC(=C(C=C1)NS(=O)(=O)SC)N2CCNC(C2)C3=CC=CC=C3O

InChI

InChI=1S/C21H29N3O3S2/c1-15(2)12-16-8-9-18(23-29(26,27)28-3)20(13-16)24-11-10-22-19(14-24)17-6-4-5-7-21(17)25/h4-9,13,15,19,22-23,25H,10-12,14H2,1-3H3