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

Systemtic Name: 1-(3-bromophenyl)sulfonyl-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane Openeye Name: 1-(3-bromophenyl)sulfonyl-4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane CAS Name: 1-(3-bromophenyl)sulfonyl-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane IUPAC Name: 1-(3-bromophenyl)sulfonyl-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane Traditional Name: 1-(3-bromophenyl)sulfonyl-4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane Formula: C17H17BrF3N3O2S MolecularWeight: 464.29999

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC(=CC=C2)Br)C3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC(=CC=C2)Br)C3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C17H17BrF3N3O2S/c18-14-3-1-4-15(11-14)27(25,26)24-8-2-7-23(9-10-24)16-6-5-13(12-22-16)17(19,20)21/h1,3-6,11-12H,2,7-10H2