1-(5-chloranyl-2-methoxy-phenyl)sulfonyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepane

Systemtic Name: 1-(5-chloranyl-2-methoxy-phenyl)sulfonyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepane Openeye Name: 1-(5-chloro-2-methoxy-phenyl)sulfonyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepane CAS Name: 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-[4-(trifluoromethyl)-2-pyrimidinyl]-1,4-diazepane IUPAC Name: 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepane Traditional Name: 1-(5-chloro-2-methoxy-phenyl)sulfonyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepane Formula: C17H18ClF3N4O3S MolecularWeight: 450.86303

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CCCN(CC2)C3=NC=CC(=N3)C(F)(F)F

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CCCN(CC2)C3=NC=CC(=N3)C(F)(F)F

InChI

InChI=1S/C17H18ClF3N4O3S/c1-28-13-4-3-12(18)11-14(13)29(26,27)25-8-2-7-24(9-10-25)16-22-6-5-15(23-16)17(19,20)21/h3-6,11H,2,7-10H2,1H3