N-[3-[[[2-nitro-4-(trifluoromethyl)phenyl]amino]carbamoyl]phenyl]propane-1-sulfonamide

Systemtic Name: N-[3-[[[2-nitro-4-(trifluoromethyl)phenyl]amino]carbamoyl]phenyl]propane-1-sulfonamide Openeye Name: N-[3-[[2-nitro-4-(trifluoromethyl)anilino]carbamoyl]phenyl]propane-1-sulfonamide CAS Name: N-[3-[[[2-nitro-4-(trifluoromethyl)phenyl]hydrazo]-oxomethyl]phenyl]-1-propanesulfonamide IUPAC Name: N-[3-[[2-nitro-4-(trifluoromethyl)anilino]carbamoyl]phenyl]propane-1-sulfonamide Traditional Name: N-[3-[[2-nitro-4-(trifluoromethyl)anilino]carbamoyl]phenyl]propane-1-sulfonamide Formula: C17H17F3N4O5S MolecularWeight: 446.40089

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)NC1=CC=CC(=C1)C(=O)NNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCCS(=O)(=O)NC1=CC=CC(=C1)C(=O)NNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H17F3N4O5S/c1-2-8-30(28,29)23-13-5-3-4-11(9-13)16(25)22-21-14-7-6-12(17(18,19)20)10-15(14)24(26)27/h3-7,9-10,21,23H,2,8H2,1H3,(H,22,25)