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

Systemtic Name: 1-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-2,3-dihydro-1,4-diazepine Openeye Name: 1-(p-tolylsulfonyl)-5-(trifluoromethyl)-2,3-dihydro-1,4-diazepine CAS Name: 1-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-2,3-dihydro-1,4-diazepine IUPAC Name: 1-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-2,3-dihydro-1,4-diazepine Traditional Name: 1-tosyl-5-(trifluoromethyl)-2,3-dihydro-1,4-diazepine Formula: C13H13F3N2O2S MolecularWeight: 318.31473

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN=C(C=C2)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN=C(C=C2)C(F)(F)F

InChI

InChI=1S/C13H13F3N2O2S/c1-10-2-4-11(5-3-10)21(19,20)18-8-6-12(13(14,15)16)17-7-9-18/h2-6,8H,7,9H2,1H3