4-[[(3-bromophenyl)methyl-(4-fluoranyl-3-methyl-phenyl)sulfonyl-amino]methyl]-N-oxidanidyl-benzamide

Systemtic Name: 4-[[(3-bromophenyl)methyl-(4-fluoranyl-3-methyl-phenyl)sulfonyl-amino]methyl]-N-oxidanidyl-benzamide Openeye Name: 4-[[(3-bromophenyl)methyl-(4-fluoro-3-methyl-phenyl)sulfonyl-amino]methyl]-N-oxido-benzamide CAS Name: 4-[[(3-bromophenyl)methyl-(4-fluoro-3-methylphenyl)sulfonylamino]methyl]-N-oxidobenzamide IUPAC Name: 4-[[(3-bromophenyl)methyl-(4-fluoro-3-methylphenyl)sulfonylamino]methyl]-N-oxidobenzamide Traditional Name: 4-[[(3-bromobenzyl)-(4-fluoro-3-methyl-phenyl)sulfonyl-amino]methyl]-N-oxido-benzamide Formula: C22H19BrFN2O4S- MolecularWeight: 506.364663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N(CC2=CC=C(C=C2)C(=O)N[O-])CC3=CC(=CC=C3)Br)F

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N(CC2=CC=C(C=C2)C(=O)N[O-])CC3=CC(=CC=C3)Br)F

InChI

InChI=1S/C22H19BrFN2O4S/c1-15-11-20(9-10-21(15)24)31(29,30)26(14-17-3-2-4-19(23)12-17)13-16-5-7-18(8-6-16)22(27)25-28/h2-12H,13-14H2,1H3,(H-,25,27,28)/q-1