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

Systemtic Name: 1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-4-(2-methoxy-5-methyl-phenyl)sulfonyl-1,4-diazepane Openeye Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-4-(2-methoxy-5-methyl-phenyl)sulfonyl-1,4-diazepane CAS Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(2-methoxy-5-methylphenyl)sulfonyl-1,4-diazepane IUPAC Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-(2-methoxy-5-methylphenyl)sulfonyl-1,4-diazepane Traditional Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-4-(2-methoxy-5-methyl-phenyl)sulfonyl-1,4-diazepane Formula: C19H21ClF3N3O3S MolecularWeight: 463.90155

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClF3N3O3S/c1-13-4-5-16(29-2)17(10-13)30(27,28)26-7-3-6-25(8-9-26)18-15(20)11-14(12-24-18)19(21,22)23/h4-5,10-12H,3,6-9H2,1-2H3