4-[[(2,4-dimethoxyphenyl)-methylsulfonyl-amino]methyl]benzoic acid

Systemtic Name: 4-[[(2,4-dimethoxyphenyl)-methylsulfonyl-amino]methyl]benzoic acid Openeye Name: 4-[(2,4-dimethoxy-N-methylsulfonyl-anilino)methyl]benzoic acid CAS Name: 4-[(2,4-dimethoxy-N-methylsulfonylanilino)methyl]benzoic acid IUPAC Name: 4-[(2,4-dimethoxy-N-methylsulfonylanilino)methyl]benzoic acid Traditional Name: 4-[(N-mesyl-2,4-dimethoxy-anilino)methyl]benzoic acid Formula: C17H19NO6S MolecularWeight: 365.40086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N(CC2=CC=C(C=C2)C(=O)O)S(=O)(=O)C)OC

Isomeric SMILES

COC1=CC(=C(C=C1)N(CC2=CC=C(C=C2)C(=O)O)S(=O)(=O)C)OC

InChI

InChI=1S/C17H19NO6S/c1-23-14-8-9-15(16(10-14)24-2)18(25(3,21)22)11-12-4-6-13(7-5-12)17(19)20/h4-10H,11H2,1-3H3,(H,19,20)