(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-7-yl) tris(fluoranyl)methanesulfonate

Systemtic Name: (1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-7-yl) tris(fluoranyl)methanesulfonate Openeye Name: (1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-7-yl) trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid (1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-7-yl) ester IUPAC Name: (1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-7-yl) trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid (1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-7-yl) ester Formula: C17H15F3N2O3S MolecularWeight: 384.37281

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN=C(C2=C1C=CC(=C2)OS(=O)(=O)C(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

CN1CCN=C(C2=C1C=CC(=C2)OS(=O)(=O)C(F)(F)F)C3=CC=CC=C3

InChI

InChI=1S/C17H15F3N2O3S/c1-22-10-9-21-16(12-5-3-2-4-6-12)14-11-13(7-8-15(14)22)25-26(23,24)17(18,19)20/h2-8,11H,9-10H2,1H3