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

Systemtic Name: 3-[[(3-acetamidophenyl)-ethyl-amino]methyl]benzenesulfonic acid Openeye Name: 3-[(3-acetamido-N-ethyl-anilino)methyl]benzenesulfonic acid CAS Name: 3-[(3-acetamido-N-ethylanilino)methyl]benzenesulfonic acid IUPAC Name: 3-[(3-acetamido-N-ethylanilino)methyl]benzenesulfonic acid Traditional Name: 3-[(3-acetamido-N-ethyl-anilino)methyl]besylic acid Formula: C17H20N2O4S MolecularWeight: 348.4167

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O4S/c1-3-19(16-8-5-7-15(11-16)18-13(2)20)12-14-6-4-9-17(10-14)24(21,22)23/h4-11H,3,12H2,1-2H3,(H,18,20)(H,21,22,23)