N-(4-methylphenyl)sulfonyl-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane-1-carboximidate

Systemtic Name: N-(4-methylphenyl)sulfonyl-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane-1-carboximidate Openeye Name: N-(p-tolylsulfonyl)-4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane-1-carboximidate CAS Name: N-(4-methylphenyl)sulfonyl-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane-1-carboximidate IUPAC Name: N-(4-methylphenyl)sulfonyl-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane-1-carboximidate Traditional Name: N-tosyl-4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane-1-carboximidate Formula: C19H20F3N4O3S- MolecularWeight: 441.44731

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N=C(N2CCCN(CC2)C3=NC=C(C=C3)C(F)(F)F)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N=C(N2CCCN(CC2)C3=NC=C(C=C3)C(F)(F)F)[O-]

InChI

InChI=1S/C19H21F3N4O3S/c1-14-3-6-16(7-4-14)30(28,29)24-18(27)26-10-2-9-25(11-12-26)17-8-5-15(13-23-17)19(20,21)22/h3-8,13H,2,9-12H2,1H3,(H,24,27)/p-1