N-(2,6-dimethylphenyl)-4-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-butanamide

Systemtic Name: N-(2,6-dimethylphenyl)-4-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-butanamide Openeye Name: N-(2,6-dimethylphenyl)-4-[2-oxo-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl]sulfanyl-butanamide CAS Name: N-(2,6-dimethylphenyl)-4-[[2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]thio]butanamide IUPAC Name: N-(2,6-dimethylphenyl)-4-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanylbutanamide Traditional Name: N-(2,6-dimethylphenyl)-4-[[2-keto-2-(4-tosylpiperazino)ethyl]thio]butyramide Formula: C25H33N3O4S2 MolecularWeight: 503.67722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSCCCC(=O)NC3=C(C=CC=C3C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSCCCC(=O)NC3=C(C=CC=C3C)C

InChI

InChI=1S/C25H33N3O4S2/c1-19-9-11-22(12-10-19)34(31,32)28-15-13-27(14-16-28)24(30)18-33-17-5-8-23(29)26-25-20(2)6-4-7-21(25)3/h4,6-7,9-12H,5,8,13-18H2,1-3H3,(H,26,29)