3-[[(3-ethoxyphenyl)-ethyl-amino]methyl]benzenesulfonic acid

Systemtic Name: 3-[[(3-ethoxyphenyl)-ethyl-amino]methyl]benzenesulfonic acid Openeye Name: 3-[(3-ethoxy-N-ethyl-anilino)methyl]benzenesulfonic acid CAS Name: 3-[(3-ethoxy-N-ethylanilino)methyl]benzenesulfonic acid IUPAC Name: 3-[(3-ethoxy-N-ethylanilino)methyl]benzenesulfonic acid Traditional Name: 3-[(3-ethoxy-N-ethyl-anilino)methyl]besylic acid Formula: C17H21NO4S MolecularWeight: 335.41794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO4S/c1-3-18(15-8-6-9-16(12-15)22-4-2)13-14-7-5-10-17(11-14)23(19,20)21/h5-12H,3-4,13H2,1-2H3,(H,19,20,21)