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

Systemtic Name: 1-(ethylsulfonylmethyl)-5-phenyl-7-(trifluoromethyl)-3H-1,4-benzodiazepin-2-one Openeye Name: 1-(ethylsulfonylmethyl)-5-phenyl-7-(trifluoromethyl)-3H-1,4-benzodiazepin-2-one CAS Name: 1-(ethylsulfonylmethyl)-5-phenyl-7-(trifluoromethyl)-3H-1,4-benzodiazepin-2-one IUPAC Name: 1-(ethylsulfonylmethyl)-5-phenyl-7-(trifluoromethyl)-3H-1,4-benzodiazepin-2-one Traditional Name: 1-(esylmethyl)-5-phenyl-7-(trifluoromethyl)-3H-1,4-benzodiazepin-2-one Formula: C19H17F3N2O3S MolecularWeight: 410.41009

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17F3N2O3S/c1-2-28(26,27)12-24-16-9-8-14(19(20,21)22)10-15(16)18(23-11-17(24)25)13-6-4-3-5-7-13/h3-10H,2,11-12H2,1H3