[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(2-phenylsulfanylpyridin-3-yl)methanone

Systemtic Name: [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(2-phenylsulfanylpyridin-3-yl)methanone Openeye Name: (2-phenylsulfanyl-3-pyridyl)-[4-(p-tolylsulfonyl)piperazin-1-yl]methanone CAS Name: [4-(4-methylphenyl)sulfonyl-1-piperazinyl]-[2-(phenylthio)-3-pyridinyl]methanone IUPAC Name: [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(2-phenylsulfanylpyridin-3-yl)methanone Traditional Name: [2-(phenylthio)-3-pyridyl]-(4-tosylpiperazino)methanone Formula: C23H23N3O3S2 MolecularWeight: 453.57702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C23H23N3O3S2/c1-18-9-11-20(12-10-18)31(28,29)26-16-14-25(15-17-26)23(27)21-8-5-13-24-22(21)30-19-6-3-2-4-7-19/h2-13H,14-17H2,1H3