N-cyclopropyl-3-[[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide

Systemtic Name: N-cyclopropyl-3-[[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide Openeye Name: N-cyclopropyl-3-[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane-1-carbonyl]benzenesulfonamide CAS Name: N-cyclopropyl-3-[oxo-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methyl]benzenesulfonamide IUPAC Name: N-cyclopropyl-3-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane-1-carbonyl]benzenesulfonamide Traditional Name: N-cyclopropyl-3-[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane-1-carbonyl]benzenesulfonamide Formula: C21H23F3N4O3S MolecularWeight: 468.49253

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)NC3CC3)C4=NC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)NC3CC3)C4=NC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C21H23F3N4O3S/c22-21(23,24)16-5-8-19(25-14-16)27-9-2-10-28(12-11-27)20(29)15-3-1-4-18(13-15)32(30,31)26-17-6-7-17/h1,3-5,8,13-14,17,26H,2,6-7,9-12H2