N-ethyl-4-[[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide

Systemtic Name: N-ethyl-4-[[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide Openeye Name: N-ethyl-4-[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane-1-carbonyl]benzenesulfonamide CAS Name: N-ethyl-4-[oxo-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methyl]benzenesulfonamide IUPAC Name: N-ethyl-4-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane-1-carbonyl]benzenesulfonamide Traditional Name: N-ethyl-4-[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane-1-carbonyl]benzenesulfonamide Formula: C20H23F3N4O3S MolecularWeight: 456.48183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23F3N4O3S/c1-2-25-31(29,30)17-7-4-15(5-8-17)19(28)27-11-3-10-26(12-13-27)18-9-6-16(14-24-18)20(21,22)23/h4-9,14,25H,2-3,10-13H2,1H3