[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-methylsulfanylpyridin-3-yl)methanone

Systemtic Name: [4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-methylsulfanylpyridin-3-yl)methanone Openeye Name: [4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-methylsulfanyl-3-pyridyl)methanone CAS Name: [4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-[2-(methylthio)-3-pyridinyl]methanone IUPAC Name: [4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-methylsulfanylpyridin-3-yl)methanone Traditional Name: [4-(2,5-dimethylphenyl)sulfonylpiperazino]-[2-(methylthio)-3-pyridyl]methanone Formula: C19H23N3O3S2 MolecularWeight: 405.53422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(N=CC=C3)SC

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(N=CC=C3)SC

InChI

InChI=1S/C19H23N3O3S2/c1-14-6-7-15(2)17(13-14)27(24,25)22-11-9-21(10-12-22)19(23)16-5-4-8-20-18(16)26-3/h4-8,13H,9-12H2,1-3H3