3-(4-methylphenyl)sulfonyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-(4-methylphenyl)sulfonyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-(p-tolylsulfonyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-(4-methylphenyl)sulfonyl-1-[4-(2-pyrimidinyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(4-methylphenyl)sulfonyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 1-[4-(2-pyrimidyl)piperazino]-3-tosyl-propan-1-one Formula: C18H22N4O3S MolecularWeight: 374.45728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C18H22N4O3S/c1-15-3-5-16(6-4-15)26(24,25)14-7-17(23)21-10-12-22(13-11-21)18-19-8-2-9-20-18/h2-6,8-9H,7,10-14H2,1H3