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

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)sulfonyl-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane Openeye Name: 1-(3-chloro-2-methyl-phenyl)sulfonyl-4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane CAS Name: 1-(3-chloro-2-methylphenyl)sulfonyl-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane IUPAC Name: 1-(3-chloro-2-methylphenyl)sulfonyl-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane Traditional Name: 1-(3-chloro-2-methyl-phenyl)sulfonyl-4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane Formula: C18H19ClF3N3O2S MolecularWeight: 433.87557

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)S(=O)(=O)N2CCCN(CC2)C3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC1=C(C=CC=C1Cl)S(=O)(=O)N2CCCN(CC2)C3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C18H19ClF3N3O2S/c1-13-15(19)4-2-5-16(13)28(26,27)25-9-3-8-24(10-11-25)17-7-6-14(12-23-17)18(20,21)22/h2,4-7,12H,3,8-11H2,1H3