N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-4-(trifluoromethyloxy)benzenesulfonamide

Systemtic Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-4-(trifluoromethyloxy)benzenesulfonamide Openeye Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-4-(trifluoromethoxy)benzenesulfonamide CAS Name: N-[2-[[6-(1-azepanyl)-4-pyrimidinyl]oxy]ethyl]-4-(trifluoromethoxy)benzenesulfonamide IUPAC Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-4-(trifluoromethoxy)benzenesulfonamide Traditional Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-4-(trifluoromethoxy)benzenesulfonamide Formula: C19H23F3N4O4S MolecularWeight: 460.47053

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC(=NC=N2)OCCNS(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

C1CCCN(CC1)C2=CC(=NC=N2)OCCNS(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C19H23F3N4O4S/c20-19(21,22)30-15-5-7-16(8-6-15)31(27,28)25-9-12-29-18-13-17(23-14-24-18)26-10-3-1-2-4-11-26/h5-8,13-14,25H,1-4,9-12H2