(5-chloranyl-2-ethylsulfonyl-pyrimidin-4-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone

Systemtic Name: (5-chloranyl-2-ethylsulfonyl-pyrimidin-4-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone Openeye Name: (5-chloro-2-ethylsulfonyl-pyrimidin-4-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone CAS Name: (5-chloro-2-ethylsulfonyl-4-pyrimidinyl)-[4-(4-methoxyphenyl)-1-piperazinyl]methanone IUPAC Name: (5-chloro-2-ethylsulfonylpyrimidin-4-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone Traditional Name: (5-chloro-2-esyl-pyrimidin-4-yl)-[4-(4-methoxyphenyl)piperazino]methanone Formula: C18H21ClN4O4S MolecularWeight: 424.90174

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(C(=N1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)OC)Cl

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(C(=N1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)OC)Cl

InChI

InChI=1S/C18H21ClN4O4S/c1-3-28(25,26)18-20-12-15(19)16(21-18)17(24)23-10-8-22(9-11-23)13-4-6-14(27-2)7-5-13/h4-7,12H,3,8-11H2,1-2H3