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

Systemtic Name: 2-methylsulfanyl-5-[1-oxidanyl-5-(4-phenylpiperazin-1-yl)pentyl]benzenesulfonamide Openeye Name: 5-[1-hydroxy-5-(4-phenylpiperazin-1-yl)pentyl]-2-methylsulfanyl-benzenesulfonamide CAS Name: 5-[1-hydroxy-5-(4-phenyl-1-piperazinyl)pentyl]-2-(methylthio)benzenesulfonamide IUPAC Name: 5-[1-hydroxy-5-(4-phenylpiperazin-1-yl)pentyl]-2-methylsulfanylbenzenesulfonamide Traditional Name: 5-[1-hydroxy-5-(4-phenylpiperazino)pentyl]-2-(methylthio)benzenesulfonamide Formula: C22H31N3O3S2 MolecularWeight: 449.62984

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(CCCCN2CCN(CC2)C3=CC=CC=C3)O)S(=O)(=O)N

Isomeric SMILES

CSC1=C(C=C(C=C1)C(CCCCN2CCN(CC2)C3=CC=CC=C3)O)S(=O)(=O)N

InChI

InChI=1S/C22H31N3O3S2/c1-29-21-11-10-18(17-22(21)30(23,27)28)20(26)9-5-6-12-24-13-15-25(16-14-24)19-7-3-2-4-8-19/h2-4,7-8,10-11,17,20,26H,5-6,9,12-16H2,1H3,(H2,23,27,28)