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

Systemtic Name: [4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-(2-phenylsulfanylpyridin-3-yl)methanone Openeye Name: [4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-(2-phenylsulfanyl-3-pyridyl)methanone CAS Name: [4-[(4-methyl-1-piperazinyl)sulfonyl]-1-piperazinyl]-[2-(phenylthio)-3-pyridinyl]methanone IUPAC Name: [4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-(2-phenylsulfanylpyridin-3-yl)methanone Traditional Name: [4-(4-methylpiperazino)sulfonylpiperazino]-[2-(phenylthio)-3-pyridyl]methanone Formula: C21H27N5O3S2 MolecularWeight: 461.60078

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C21H27N5O3S2/c1-23-10-14-25(15-11-23)31(28,29)26-16-12-24(13-17-26)21(27)19-8-5-9-22-20(19)30-18-6-3-2-4-7-18/h2-9H,10-17H2,1H3