1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-4-(4-methoxyphenyl)sulfonyl-1,4-diazepane

Systemtic Name: 1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-4-(4-methoxyphenyl)sulfonyl-1,4-diazepane Openeye Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-4-(4-methoxyphenyl)sulfonyl-1,4-diazepane CAS Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(4-methoxyphenyl)sulfonyl-1,4-diazepane IUPAC Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-(4-methoxyphenyl)sulfonyl-1,4-diazepane Traditional Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-4-(4-methoxyphenyl)sulfonyl-1,4-diazepane Formula: C18H19ClF3N3O3S MolecularWeight: 449.87497

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClF3N3O3S/c1-28-14-3-5-15(6-4-14)29(26,27)25-8-2-7-24(9-10-25)17-16(19)11-13(12-23-17)18(20,21)22/h3-6,11-12H,2,7-10H2,1H3