3-[[(5-acetamido-2-methoxy-phenyl)-ethyl-amino]methyl]benzenesulfonic acid

Systemtic Name: 3-[[(5-acetamido-2-methoxy-phenyl)-ethyl-amino]methyl]benzenesulfonic acid Openeye Name: 3-[(5-acetamido-N-ethyl-2-methoxy-anilino)methyl]benzenesulfonic acid CAS Name: 3-[(5-acetamido-N-ethyl-2-methoxyanilino)methyl]benzenesulfonic acid IUPAC Name: 3-[(5-acetamido-N-ethyl-2-methoxyanilino)methyl]benzenesulfonic acid Traditional Name: 3-[(5-acetamido-N-ethyl-2-methoxy-anilino)methyl]besylic acid Formula: C18H22N2O5S MolecularWeight: 378.44268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O5S/c1-4-20(12-14-6-5-7-16(10-14)26(22,23)24)17-11-15(19-13(2)21)8-9-18(17)25-3/h5-11H,4,12H2,1-3H3,(H,19,21)(H,22,23,24)