4-[[(3-bromophenyl)methyl-[3-(trifluoromethyl)phenyl]sulfonyl-amino]methyl]-N-oxidanidyl-cyclohexane-1-carboxamide

Systemtic Name: 4-[[(3-bromophenyl)methyl-[3-(trifluoromethyl)phenyl]sulfonyl-amino]methyl]-N-oxidanidyl-cyclohexane-1-carboxamide Openeye Name: 4-[[(3-bromophenyl)methyl-[3-(trifluoromethyl)phenyl]sulfonyl-amino]methyl]-N-oxido-cyclohexanecarboxamide CAS Name: 4-[[(3-bromophenyl)methyl-[3-(trifluoromethyl)phenyl]sulfonylamino]methyl]-N-oxido-1-cyclohexanecarboxamide IUPAC Name: 4-[[(3-bromophenyl)methyl-[3-(trifluoromethyl)phenyl]sulfonylamino]methyl]-N-oxidocyclohexane-1-carboxamide Traditional Name: 4-[[(3-bromobenzyl)-[3-(trifluoromethyl)phenyl]sulfonyl-amino]methyl]-N-oxido-cyclohexanecarboxamide Formula: C22H23BrF3N2O4S- MolecularWeight: 548.39323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN(CC2=CC(=CC=C2)Br)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)C(=O)N[O-]

Isomeric SMILES

C1CC(CCC1CN(CC2=CC(=CC=C2)Br)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)C(=O)N[O-]

InChI

InChI=1S/C22H23BrF3N2O4S/c23-19-5-1-3-16(11-19)14-28(13-15-7-9-17(10-8-15)21(29)27-30)33(31,32)20-6-2-4-18(12-20)22(24,25)26/h1-6,11-12,15,17H,7-10,13-14H2,(H-,27,29,30)/q-1