3-[(3-thiophen-2-ylpropanoylamino)carbamoyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide

Systemtic Name: 3-[(3-thiophen-2-ylpropanoylamino)carbamoyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide Openeye Name: 3-[[3-(2-thienyl)propanoylamino]carbamoyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide CAS Name: 3-[oxo-[(1-oxo-3-thiophen-2-ylpropyl)hydrazo]methyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide IUPAC Name: 3-[(3-thiophen-2-ylpropanoylamino)carbamoyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide Traditional Name: 3-[[3-(2-thienyl)propanoylamino]carbamoyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide Formula: C21H18F3N3O4S2 MolecularWeight: 497.51053

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)NC2=CC=CC(=C2)C(F)(F)F)C(=O)NNC(=O)CCC3=CC=CS3

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)NC2=CC=CC(=C2)C(F)(F)F)C(=O)NNC(=O)CCC3=CC=CS3

InChI

InChI=1S/C21H18F3N3O4S2/c22-21(23,24)15-5-2-6-16(13-15)27-33(30,31)18-8-1-4-14(12-18)20(29)26-25-19(28)10-9-17-7-3-11-32-17/h1-8,11-13,27H,9-10H2,(H,25,28)(H,26,29)