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

Systemtic Name: 3-[[(5-acetamido-2-methoxy-phenyl)-methyl-amino]methyl]benzenesulfonic acid Openeye Name: 3-[(5-acetamido-2-methoxy-N-methyl-anilino)methyl]benzenesulfonic acid CAS Name: 3-[(5-acetamido-2-methoxy-N-methylanilino)methyl]benzenesulfonic acid IUPAC Name: 3-[(5-acetamido-2-methoxy-N-methylanilino)methyl]benzenesulfonic acid Traditional Name: 3-[(5-acetamido-2-methoxy-N-methyl-anilino)methyl]besylic acid Formula: C17H20N2O5S MolecularWeight: 364.4161

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)OC)N(C)CC2=CC(=CC=C2)S(=O)(=O)O

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)OC)N(C)CC2=CC(=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C17H20N2O5S/c1-12(20)18-14-7-8-17(24-3)16(10-14)19(2)11-13-5-4-6-15(9-13)25(21,22)23/h4-10H,11H2,1-3H3,(H,18,20)(H,21,22,23)