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

Systemtic Name: 3-[[(2-ethoxy-5-methyl-phenyl)-methyl-amino]methyl]benzenesulfonic acid Openeye Name: 3-[(2-ethoxy-N,5-dimethyl-anilino)methyl]benzenesulfonic acid CAS Name: 3-[(2-ethoxy-N,5-dimethylanilino)methyl]benzenesulfonic acid IUPAC Name: 3-[(2-ethoxy-N,5-dimethylanilino)methyl]benzenesulfonic acid Traditional Name: 3-[(2-ethoxy-N,5-dimethyl-anilino)methyl]besylic acid Formula: C17H21NO4S MolecularWeight: 335.41794

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C)N(C)CC2=CC(=CC=C2)S(=O)(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)C)N(C)CC2=CC(=CC=C2)S(=O)(=O)O

InChI

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