[2-(4-methylphenyl)sulfanylpyridin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone

Systemtic Name: [2-(4-methylphenyl)sulfanylpyridin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone Openeye Name: (4-methylsulfonylpiperazin-1-yl)-[2-(p-tolylsulfanyl)-3-pyridyl]methanone CAS Name: [2-[(4-methylphenyl)thio]-3-pyridinyl]-(4-methylsulfonyl-1-piperazinyl)methanone IUPAC Name: [2-(4-methylphenyl)sulfanylpyridin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone Traditional Name: (4-mesylpiperazino)-[2-(p-tolylthio)-3-pyridyl]methanone Formula: C18H21N3O3S2 MolecularWeight: 391.50764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)N3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)N3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C18H21N3O3S2/c1-14-5-7-15(8-6-14)25-17-16(4-3-9-19-17)18(22)20-10-12-21(13-11-20)26(2,23)24/h3-9H,10-13H2,1-2H3