1-(3,4-dimethoxyphenyl)sulfonyl-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane

Systemtic Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane Openeye Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane CAS Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane IUPAC Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane Traditional Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane Formula: C19H22F3N3O4S MolecularWeight: 445.45589

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NC=C(C=C3)C(F)(F)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NC=C(C=C3)C(F)(F)F)OC

InChI

InChI=1S/C19H22F3N3O4S/c1-28-16-6-5-15(12-17(16)29-2)30(26,27)25-9-3-8-24(10-11-25)18-7-4-14(13-23-18)19(20,21)22/h4-7,12-13H,3,8-11H2,1-2H3