4-[[(2,5-dimethylphenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]methyl]-N-oxidanidyl-benzamide

Systemtic Name: 4-[[(2,5-dimethylphenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]methyl]-N-oxidanidyl-benzamide Openeye Name: 4-[[(2,5-dimethylphenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]methyl]-N-oxido-benzamide CAS Name: 4-[[(2,5-dimethylphenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]methyl]-N-oxidobenzamide IUPAC Name: 4-[[(2,5-dimethylphenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]methyl]-N-oxidobenzamide Traditional Name: 4-[[(2,5-dimethylphenyl)sulfonyl-(4-fluorobenzyl)amino]methyl]-N-oxido-benzamide Formula: C23H22FN2O4S- MolecularWeight: 441.495183

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C23H22FN2O4S/c1-16-3-4-17(2)22(13-16)31(29,30)26(15-19-7-11-21(24)12-8-19)14-18-5-9-20(10-6-18)23(27)25-28/h3-13H,14-15H2,1-2H3,(H-,25,27,28)/q-1