1-(4-methylphenyl)sulfonyl-3-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]urea

Systemtic Name: 1-(4-methylphenyl)sulfonyl-3-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]urea Openeye Name: 1-(p-tolylsulfonyl)-3-[1-[4-(trifluoromethyl)pyrimidin-2-yl]-4-piperidyl]urea CAS Name: 1-(4-methylphenyl)sulfonyl-3-[1-[4-(trifluoromethyl)-2-pyrimidinyl]-4-piperidinyl]urea IUPAC Name: 1-(4-methylphenyl)sulfonyl-3-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]urea Traditional Name: 1-tosyl-3-[1-[4-(trifluoromethyl)pyrimidin-2-yl]-4-piperidyl]urea Formula: C18H20F3N5O3S MolecularWeight: 443.44331

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2CCN(CC2)C3=NC=CC(=N3)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2CCN(CC2)C3=NC=CC(=N3)C(F)(F)F

InChI

InChI=1S/C18H20F3N5O3S/c1-12-2-4-14(5-3-12)30(28,29)25-17(27)23-13-7-10-26(11-8-13)16-22-9-6-15(24-16)18(19,20)21/h2-6,9,13H,7-8,10-11H2,1H3,(H2,23,25,27)