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

Systemtic Name: 3-[[(2,5-diethoxyphenyl)-ethyl-amino]methyl]benzenesulfonic acid Openeye Name: 3-[(2,5-diethoxy-N-ethyl-anilino)methyl]benzenesulfonic acid CAS Name: 3-[(2,5-diethoxy-N-ethylanilino)methyl]benzenesulfonic acid IUPAC Name: 3-[(2,5-diethoxy-N-ethylanilino)methyl]benzenesulfonic acid Traditional Name: 3-[(2,5-diethoxy-N-ethyl-anilino)methyl]besylic acid Formula: C19H25NO5S MolecularWeight: 379.4705

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=C(C=CC(=C2)OCC)OCC

Isomeric SMILES

CCN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=C(C=CC(=C2)OCC)OCC

InChI

InChI=1S/C19H25NO5S/c1-4-20(14-15-8-7-9-17(12-15)26(21,22)23)18-13-16(24-5-2)10-11-19(18)25-6-3/h7-13H,4-6,14H2,1-3H3,(H,21,22,23)