7-chloranyl-1-(propylsulfonylmethyl)-5-[2-(trifluoromethyl)phenyl]-3H-1,4-benzodiazepin-2-one

Systemtic Name: 7-chloranyl-1-(propylsulfonylmethyl)-5-[2-(trifluoromethyl)phenyl]-3H-1,4-benzodiazepin-2-one Openeye Name: 7-chloro-1-(propylsulfonylmethyl)-5-[2-(trifluoromethyl)phenyl]-3H-1,4-benzodiazepin-2-one CAS Name: 7-chloro-1-(propylsulfonylmethyl)-5-[2-(trifluoromethyl)phenyl]-3H-1,4-benzodiazepin-2-one IUPAC Name: 7-chloro-1-(propylsulfonylmethyl)-5-[2-(trifluoromethyl)phenyl]-3H-1,4-benzodiazepin-2-one Traditional Name: 7-chloro-1-(propylsulfonylmethyl)-5-[2-(trifluoromethyl)phenyl]-3H-1,4-benzodiazepin-2-one Formula: C20H18ClF3N2O3S MolecularWeight: 458.88173

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CCCS(=O)(=O)CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C20H18ClF3N2O3S/c1-2-9-30(28,29)12-26-17-8-7-13(21)10-15(17)19(25-11-18(26)27)14-5-3-4-6-16(14)20(22,23)24/h3-8,10H,2,9,11-12H2,1H3