1-(2,5-dimethylphenyl)sulfonyl-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane

Systemtic Name: 1-(2,5-dimethylphenyl)sulfonyl-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane Openeye Name: 1-(2,5-dimethylphenyl)sulfonyl-4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane CAS Name: 1-(2,5-dimethylphenyl)sulfonyl-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane IUPAC Name: 1-(2,5-dimethylphenyl)sulfonyl-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane Traditional Name: 1-(2,5-dimethylphenyl)sulfonyl-4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane Formula: C19H22F3N3O2S MolecularWeight: 413.45709

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22F3N3O2S/c1-14-4-5-15(2)17(12-14)28(26,27)25-9-3-8-24(10-11-25)18-7-6-16(13-23-18)19(20,21)22/h4-7,12-13H,3,8-11H2,1-2H3