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

Systemtic Name: 1-(4-tert-butylphenyl)sulfonyl-4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane Openeye Name: 1-(4-tert-butylphenyl)sulfonyl-4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane CAS Name: 1-(4-tert-butylphenyl)sulfonyl-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane IUPAC Name: 1-(4-tert-butylphenyl)sulfonyl-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane Traditional Name: 1-(4-tert-butylphenyl)sulfonyl-4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane Formula: C21H25ClF3N3O2S MolecularWeight: 475.95531

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C21H25ClF3N3O2S/c1-20(2,3)15-5-7-17(8-6-15)31(29,30)28-10-4-9-27(11-12-28)19-18(22)13-16(14-26-19)21(23,24)25/h5-8,13-14H,4,9-12H2,1-3H3