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

Systemtic Name: N-[2-(3-methylsulfanylpiperazin-1-yl)-4-propyl-phenyl]-2-oxidanyl-benzenesulfonamide Openeye Name: 2-hydroxy-N-[2-(3-methylsulfanylpiperazin-1-yl)-4-propyl-phenyl]benzenesulfonamide CAS Name: 2-hydroxy-N-[2-[3-(methylthio)-1-piperazinyl]-4-propylphenyl]benzenesulfonamide IUPAC Name: 2-hydroxy-N-[2-(3-methylsulfanylpiperazin-1-yl)-4-propylphenyl]benzenesulfonamide Traditional Name: 2-hydroxy-N-[2-[3-(methylthio)piperazino]-4-propyl-phenyl]benzenesulfonamide Formula: C20H27N3O3S2 MolecularWeight: 421.57668

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=CC=C2O)N3CCNC(C3)SC

Isomeric SMILES

CCCC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=CC=C2O)N3CCNC(C3)SC

InChI

InChI=1S/C20H27N3O3S2/c1-3-6-15-9-10-16(17(13-15)23-12-11-21-20(14-23)27-2)22-28(25,26)19-8-5-4-7-18(19)24/h4-5,7-10,13,20-22,24H,3,6,11-12,14H2,1-2H3