N,N-dimethyl-2-methylsulfanyl-5-[1-oxidanyl-6-(4-phenylpiperazin-1-yl)hexyl]benzenesulfonamide

Systemtic Name: N,N-dimethyl-2-methylsulfanyl-5-[1-oxidanyl-6-(4-phenylpiperazin-1-yl)hexyl]benzenesulfonamide Openeye Name: 5-[1-hydroxy-6-(4-phenylpiperazin-1-yl)hexyl]-N,N-dimethyl-2-methylsulfanyl-benzenesulfonamide CAS Name: 5-[1-hydroxy-6-(4-phenyl-1-piperazinyl)hexyl]-N,N-dimethyl-2-(methylthio)benzenesulfonamide IUPAC Name: 5-[1-hydroxy-6-(4-phenylpiperazin-1-yl)hexyl]-N,N-dimethyl-2-methylsulfanylbenzenesulfonamide Traditional Name: 5-[1-hydroxy-6-(4-phenylpiperazino)hexyl]-N,N-dimethyl-2-(methylthio)benzenesulfonamide Formula: C25H37N3O3S2 MolecularWeight: 491.70958

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=C(C=CC(=C1)C(CCCCCN2CCN(CC2)C3=CC=CC=C3)O)SC

Isomeric SMILES

CN(C)S(=O)(=O)C1=C(C=CC(=C1)C(CCCCCN2CCN(CC2)C3=CC=CC=C3)O)SC

InChI

InChI=1S/C25H37N3O3S2/c1-26(2)33(30,31)25-20-21(13-14-24(25)32-3)23(29)12-8-5-9-15-27-16-18-28(19-17-27)22-10-6-4-7-11-22/h4,6-7,10-11,13-14,20,23,29H,5,8-9,12,15-19H2,1-3H3