4-[[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonyl-amino]methyl]-N-oxidanidyl-benzamide

Systemtic Name: 4-[[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonyl-amino]methyl]-N-oxidanidyl-benzamide Openeye Name: 4-[[(4-fluorophenyl)methyl-(p-tolylsulfonyl)amino]methyl]-N-oxido-benzamide CAS Name: 4-[[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]methyl]-N-oxidobenzamide IUPAC Name: 4-[[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]methyl]-N-oxidobenzamide Traditional Name: 4-[[(4-fluorobenzyl)-tosyl-amino]methyl]-N-oxido-benzamide Formula: C22H20FN2O4S- MolecularWeight: 427.468603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20FN2O4S/c1-16-2-12-21(13-3-16)30(28,29)25(15-18-6-10-20(23)11-7-18)14-17-4-8-19(9-5-17)22(26)24-27/h2-13H,14-15H2,1H3,(H-,24,26,27)/q-1