2-methylsulfanyl-5-[1-oxidanyl-4-(4-phenylpiperazin-1-yl)butyl]benzenesulfonamide

Systemtic Name: 2-methylsulfanyl-5-[1-oxidanyl-4-(4-phenylpiperazin-1-yl)butyl]benzenesulfonamide Openeye Name: 5-[1-hydroxy-4-(4-phenylpiperazin-1-yl)butyl]-2-methylsulfanyl-benzenesulfonamide CAS Name: 5-[1-hydroxy-4-(4-phenyl-1-piperazinyl)butyl]-2-(methylthio)benzenesulfonamide IUPAC Name: 5-[1-hydroxy-4-(4-phenylpiperazin-1-yl)butyl]-2-methylsulfanylbenzenesulfonamide Traditional Name: 5-[1-hydroxy-4-(4-phenylpiperazino)butyl]-2-(methylthio)benzenesulfonamide Formula: C21H29N3O3S2 MolecularWeight: 435.60326

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(CCCN2CCN(CC2)C3=CC=CC=C3)O)S(=O)(=O)N

Isomeric SMILES

CSC1=C(C=C(C=C1)C(CCCN2CCN(CC2)C3=CC=CC=C3)O)S(=O)(=O)N

InChI

InChI=1S/C21H29N3O3S2/c1-28-20-10-9-17(16-21(20)29(22,26)27)19(25)8-5-11-23-12-14-24(15-13-23)18-6-3-2-4-7-18/h2-4,6-7,9-10,16,19,25H,5,8,11-15H2,1H3,(H2,22,26,27)