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

Systemtic Name: 3-[[(2-methoxy-5-methyl-phenyl)-methyl-amino]methyl]benzenesulfonic acid Openeye Name: 3-[(2-methoxy-N,5-dimethyl-anilino)methyl]benzenesulfonic acid CAS Name: 3-[(2-methoxy-N,5-dimethylanilino)methyl]benzenesulfonic acid IUPAC Name: 3-[(2-methoxy-N,5-dimethylanilino)methyl]benzenesulfonic acid Traditional Name: 3-[(2-methoxy-N,5-dimethyl-anilino)methyl]besylic acid Formula: C16H19NO4S MolecularWeight: 321.39136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N(C)CC2=CC(=CC=C2)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N(C)CC2=CC(=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C16H19NO4S/c1-12-7-8-16(21-3)15(9-12)17(2)11-13-5-4-6-14(10-13)22(18,19)20/h4-10H,11H2,1-3H3,(H,18,19,20)