3-[[(2,5-dimethoxyphenyl)-methyl-amino]methyl]benzenesulfonic acid

Systemtic Name: 3-[[(2,5-dimethoxyphenyl)-methyl-amino]methyl]benzenesulfonic acid Openeye Name: 3-[(2,5-dimethoxy-N-methyl-anilino)methyl]benzenesulfonic acid CAS Name: 3-[(2,5-dimethoxy-N-methylanilino)methyl]benzenesulfonic acid IUPAC Name: 3-[(2,5-dimethoxy-N-methylanilino)methyl]benzenesulfonic acid Traditional Name: 3-[(2,5-dimethoxy-N-methyl-anilino)methyl]besylic acid Formula: C16H19NO5S MolecularWeight: 337.39076

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=C(C=CC(=C2)OC)OC

Isomeric SMILES

CN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=C(C=CC(=C2)OC)OC

InChI

InChI=1S/C16H19NO5S/c1-17(15-10-13(21-2)7-8-16(15)22-3)11-12-5-4-6-14(9-12)23(18,19)20/h4-10H,11H2,1-3H3,(H,18,19,20)