1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane

Systemtic Name: 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane Openeye Name: 1-indan-5-ylsulfonyl-4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane CAS Name: 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane IUPAC Name: 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane Traditional Name: 1-indan-5-ylsulfonyl-4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane Formula: C20H22F3N3O2S MolecularWeight: 425.46779

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCCN(CC3)C4=NC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCCN(CC3)C4=NC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C20H22F3N3O2S/c21-20(22,23)17-6-8-19(24-14-17)25-9-2-10-26(12-11-25)29(27,28)18-7-5-15-3-1-4-16(15)13-18/h5-8,13-14H,1-4,9-12H2