2-[(3,4-dimethoxyphenyl)methyl-(4-methylphenyl)sulfonyl-amino]benzoic acid

Systemtic Name: 2-[(3,4-dimethoxyphenyl)methyl-(4-methylphenyl)sulfonyl-amino]benzoic acid Openeye Name: 2-[(3,4-dimethoxyphenyl)methyl-(p-tolylsulfonyl)amino]benzoic acid CAS Name: 2-[(3,4-dimethoxyphenyl)methyl-(4-methylphenyl)sulfonylamino]benzoic acid IUPAC Name: 2-[(3,4-dimethoxyphenyl)methyl-(4-methylphenyl)sulfonylamino]benzoic acid Traditional Name: 2-[tosyl(veratryl)amino]benzoic acid Formula: C23H23NO6S MolecularWeight: 441.49682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC(=C(C=C2)OC)OC)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC(=C(C=C2)OC)OC)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C23H23NO6S/c1-16-8-11-18(12-9-16)31(27,28)24(20-7-5-4-6-19(20)23(25)26)15-17-10-13-21(29-2)22(14-17)30-3/h4-14H,15H2,1-3H3,(H,25,26)