N-[4-(2-methylpropyl)-2-(3-methylsulfanylpiperazin-1-yl)phenyl]-2-oxidanyl-benzenesulfonamide

Systemtic Name: N-[4-(2-methylpropyl)-2-(3-methylsulfanylpiperazin-1-yl)phenyl]-2-oxidanyl-benzenesulfonamide Openeye Name: 2-hydroxy-N-[4-isobutyl-2-(3-methylsulfanylpiperazin-1-yl)phenyl]benzenesulfonamide CAS Name: 2-hydroxy-N-[4-(2-methylpropyl)-2-[3-(methylthio)-1-piperazinyl]phenyl]benzenesulfonamide IUPAC Name: 2-hydroxy-N-[4-(2-methylpropyl)-2-(3-methylsulfanylpiperazin-1-yl)phenyl]benzenesulfonamide Traditional Name: 2-hydroxy-N-[4-isobutyl-2-[3-(methylthio)piperazino]phenyl]benzenesulfonamide 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)C2=CC=CC=C2O)N3CCNC(C3)SC

Isomeric SMILES

CC(C)CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=CC=C2O)N3CCNC(C3)SC

InChI

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