1-(1,2-dimethylimidazol-4-yl)sulfonyl-5-(trifluoromethyl)-2,3-dihydro-1,4-diazepine

Systemtic Name: 1-(1,2-dimethylimidazol-4-yl)sulfonyl-5-(trifluoromethyl)-2,3-dihydro-1,4-diazepine Openeye Name: 1-(1,2-dimethylimidazol-4-yl)sulfonyl-5-(trifluoromethyl)-2,3-dihydro-1,4-diazepine CAS Name: 1-[(1,2-dimethyl-4-imidazolyl)sulfonyl]-5-(trifluoromethyl)-2,3-dihydro-1,4-diazepine IUPAC Name: 1-(1,2-dimethylimidazol-4-yl)sulfonyl-5-(trifluoromethyl)-2,3-dihydro-1,4-diazepine Traditional Name: 1-(1,2-dimethylimidazol-4-yl)sulfonyl-5-(trifluoromethyl)-2,3-dihydro-1,4-diazepine Formula: C11H13F3N4O2S MolecularWeight: 322.30673

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CN1C)S(=O)(=O)N2CCN=C(C=C2)C(F)(F)F

Isomeric SMILES

CC1=NC(=CN1C)S(=O)(=O)N2CCN=C(C=C2)C(F)(F)F

InChI

InChI=1S/C11H13F3N4O2S/c1-8-16-10(7-17(8)2)21(19,20)18-5-3-9(11(12,13)14)15-4-6-18/h3,5,7H,4,6H2,1-2H3