4-[[(3,4-dimethoxyphenyl)methyl-(2,4,6-trimethylphenyl)sulfonyl-amino]methyl]-N-oxidanidyl-benzamide

Systemtic Name: 4-[[(3,4-dimethoxyphenyl)methyl-(2,4,6-trimethylphenyl)sulfonyl-amino]methyl]-N-oxidanidyl-benzamide Openeye Name: 4-[[(3,4-dimethoxyphenyl)methyl-(2,4,6-trimethylphenyl)sulfonyl-amino]methyl]-N-oxido-benzamide CAS Name: 4-[[(3,4-dimethoxyphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]methyl]-N-oxidobenzamide IUPAC Name: 4-[[(3,4-dimethoxyphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]methyl]-N-oxidobenzamide Traditional Name: 4-[[mesitylsulfonyl(veratryl)amino]methyl]-N-oxido-benzamide Formula: C26H29N2O6S- MolecularWeight: 497.58326

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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)OC)OC)C

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)OC)OC)C

InChI

InChI=1S/C26H29N2O6S/c1-17-12-18(2)25(19(3)13-17)35(31,32)28(15-20-6-9-22(10-7-20)26(29)27-30)16-21-8-11-23(33-4)24(14-21)34-5/h6-14H,15-16H2,1-5H3,(H-,27,29,30)/q-1