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

Systemtic Name: 3-[[butyl-(2,5-dimethoxyphenyl)amino]methyl]benzenesulfonic acid Openeye Name: 3-[(N-butyl-2,5-dimethoxy-anilino)methyl]benzenesulfonic acid CAS Name: 3-[(N-butyl-2,5-dimethoxyanilino)methyl]benzenesulfonic acid IUPAC Name: 3-[(N-butyl-2,5-dimethoxyanilino)methyl]benzenesulfonic acid Traditional Name: 3-[(N-butyl-2,5-dimethoxy-anilino)methyl]besylic acid Formula: C19H25NO5S MolecularWeight: 379.4705

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO5S/c1-4-5-11-20(18-13-16(24-2)9-10-19(18)25-3)14-15-7-6-8-17(12-15)26(21,22)23/h6-10,12-13H,4-5,11,14H2,1-3H3,(H,21,22,23)