N-(4-methylphenyl)sulfonyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepane-1-carboxamide

Systemtic Name: N-(4-methylphenyl)sulfonyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepane-1-carboxamide Openeye Name: N-(p-tolylsulfonyl)-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepane-1-carboxamide CAS Name: N-(4-methylphenyl)sulfonyl-4-[4-(trifluoromethyl)-2-pyrimidinyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(4-methylphenyl)sulfonyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepane-1-carboxamide Traditional Name: N-tosyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepane-1-carboxamide 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)N2CCCN(CC2)C3=NC=CC(=N3)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N2CCCN(CC2)C3=NC=CC(=N3)C(F)(F)F

InChI

InChI=1S/C18H20F3N5O3S/c1-13-3-5-14(6-4-13)30(28,29)24-17(27)26-10-2-9-25(11-12-26)16-22-8-7-15(23-16)18(19,20)21/h3-8H,2,9-12H2,1H3,(H,24,27)