1-(methylsulfonylmethyl)-5-phenyl-7-(trifluoromethyl)-3H-1,4-benzodiazepin-2-one

Systemtic Name: 1-(methylsulfonylmethyl)-5-phenyl-7-(trifluoromethyl)-3H-1,4-benzodiazepin-2-one Openeye Name: 1-(methylsulfonylmethyl)-5-phenyl-7-(trifluoromethyl)-3H-1,4-benzodiazepin-2-one CAS Name: 1-(methylsulfonylmethyl)-5-phenyl-7-(trifluoromethyl)-3H-1,4-benzodiazepin-2-one IUPAC Name: 1-(methylsulfonylmethyl)-5-phenyl-7-(trifluoromethyl)-3H-1,4-benzodiazepin-2-one Traditional Name: 1-(mesylmethyl)-5-phenyl-7-(trifluoromethyl)-3H-1,4-benzodiazepin-2-one Formula: C18H15F3N2O3S MolecularWeight: 396.38351

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CN1C(=O)CN=C(C2=C1C=CC(=C2)C(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)CN1C(=O)CN=C(C2=C1C=CC(=C2)C(F)(F)F)C3=CC=CC=C3

InChI

InChI=1S/C18H15F3N2O3S/c1-27(25,26)11-23-15-8-7-13(18(19,20)21)9-14(15)17(22-10-16(23)24)12-5-3-2-4-6-12/h2-9H,10-11H2,1H3