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3-[[(5-acetamido-2-ethoxy-phenyl)-ethyl-amino]methyl]benzenesulfonic acid
3-[[(5-acetamido-2-ethoxy-phenyl)-ethyl-amino]methyl]benzenesulfonic acid
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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)OCC
Isomeric SMILES
CCN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=C(C=CC(=C2)NC(=O)C)OCC
InChI
InChI=1S/C19H24N2O5S/c1-4-21(13-15-7-6-8-17(11-15)27(23,24)25)18-12-16(20-14(3)22)9-10-19(18)26-5-2/h6-12H,4-5,13H2,1-3H3,(H,20,22)(H,23,24,25)
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