5-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanoyl]-2-methylsulfanyl-benzenesulfonamide

Systemtic Name: 5-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanoyl]-2-methylsulfanyl-benzenesulfonamide Openeye Name: 5-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanoyl]-2-methylsulfanyl-benzenesulfonamide CAS Name: 5-[5-[4-(2-methoxyphenyl)-1-piperazinyl]-1-oxopentyl]-2-(methylthio)benzenesulfonamide IUPAC Name: 5-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanoyl]-2-methylsulfanylbenzenesulfonamide Traditional Name: 5-[5-[4-(2-methoxyphenyl)piperazino]pentanoyl]-2-(methylthio)benzenesulfonamide Formula: C23H31N3O4S2 MolecularWeight: 477.63994

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CCCCC(=O)C3=CC(=C(C=C3)SC)S(=O)(=O)N

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CCCCC(=O)C3=CC(=C(C=C3)SC)S(=O)(=O)N

InChI

InChI=1S/C23H31N3O4S2/c1-30-21-9-4-3-7-19(21)26-15-13-25(14-16-26)12-6-5-8-20(27)18-10-11-22(31-2)23(17-18)32(24,28)29/h3-4,7,9-11,17H,5-6,8,12-16H2,1-2H3,(H2,24,28,29)