(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (5-chloro-2-methylsulfanyl-pyrimidin-4-yl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone CAS Name: [5-chloro-2-(methylthio)-4-pyrimidinyl]-[4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (5-chloro-2-methylsulfanylpyrimidin-4-yl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: [5-chloro-2-(methylthio)pyrimidin-4-yl]-(4-p-phenetylsulfonylpiperazino)methanone Formula: C18H21ClN4O4S2 MolecularWeight: 456.96674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=NC(=NC=C3Cl)SC

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=NC(=NC=C3Cl)SC

InChI

InChI=1S/C18H21ClN4O4S2/c1-3-27-13-4-6-14(7-5-13)29(25,26)23-10-8-22(9-11-23)17(24)16-15(19)12-20-18(21-16)28-2/h4-7,12H,3,8-11H2,1-2H3