methyl 2-methyl-5-methylsulfonyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)benzoate

Systemtic Name: methyl 2-methyl-5-methylsulfonyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)benzoate Openeye Name: methyl 2-methyl-5-methylsulfonyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)benzoate CAS Name: 2-methyl-5-methylsulfonyl-4-[4-(2-pyrimidinyl)-1-piperazinyl]benzoic acid methyl ester IUPAC Name: methyl 2-methyl-5-methylsulfonyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)benzoate Traditional Name: 5-mesyl-2-methyl-4-[4-(2-pyrimidyl)piperazino]benzoic acid methyl ester Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)OC)S(=O)(=O)C)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)OC)S(=O)(=O)C)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C18H22N4O4S/c1-13-11-15(16(27(3,24)25)12-14(13)17(23)26-2)21-7-9-22(10-8-21)18-19-5-4-6-20-18/h4-6,11-12H,7-10H2,1-3H3