8-methyl-5-[[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]sulfonyl]quinoline

Systemtic Name: 8-methyl-5-[[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]sulfonyl]quinoline Openeye Name: 8-methyl-5-[[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]sulfonyl]quinoline CAS Name: 8-methyl-5-[[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]sulfonyl]quinoline IUPAC Name: 8-methyl-5-[[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]sulfonyl]quinoline Traditional Name: 8-methyl-5-[[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]sulfonyl]quinoline Formula: C21H21F3N4O2S MolecularWeight: 450.47725

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)S(=O)(=O)N3CCCN(CC3)C4=NC=C(C=C4)C(F)(F)F)C=CC=N2

Isomeric SMILES

CC1=C2C(=C(C=C1)S(=O)(=O)N3CCCN(CC3)C4=NC=C(C=C4)C(F)(F)F)C=CC=N2

InChI

InChI=1S/C21H21F3N4O2S/c1-15-5-7-18(17-4-2-9-25-20(15)17)31(29,30)28-11-3-10-27(12-13-28)19-8-6-16(14-26-19)21(22,23)24/h2,4-9,14H,3,10-13H2,1H3