N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-3-(trifluoromethyl)benzenesulfonamide

Systemtic Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-3-(trifluoromethyl)benzenesulfonamide Openeye Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-3-(trifluoromethyl)benzenesulfonamide CAS Name: N-[2-[[6-(1-azepanyl)-4-pyrimidinyl]oxy]ethyl]-3-(trifluoromethyl)benzenesulfonamide IUPAC Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-3-(trifluoromethyl)benzenesulfonamide Traditional Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-3-(trifluoromethyl)benzenesulfonamide Formula: C19H23F3N4O3S MolecularWeight: 444.47113

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23F3N4O3S/c20-19(21,22)15-6-5-7-16(12-15)30(27,28)25-8-11-29-18-13-17(23-14-24-18)26-9-3-1-2-4-10-26/h5-7,12-14,25H,1-4,8-11H2