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

Systemtic Name: 1-(4-bromanyl-3-methyl-phenyl)sulfonyl-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane Openeye Name: 1-(4-bromo-3-methyl-phenyl)sulfonyl-4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane CAS Name: 1-(4-bromo-3-methylphenyl)sulfonyl-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane IUPAC Name: 1-(4-bromo-3-methylphenyl)sulfonyl-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane Traditional Name: 1-(4-bromo-3-methyl-phenyl)sulfonyl-4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane Formula: C18H19BrF3N3O2S MolecularWeight: 478.32657

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19BrF3N3O2S/c1-13-11-15(4-5-16(13)19)28(26,27)25-8-2-7-24(9-10-25)17-6-3-14(12-23-17)18(20,21)22/h3-6,11-12H,2,7-10H2,1H3