3-[[ethyl-(3-methoxyphenyl)amino]methyl]benzenesulfonic acid

Systemtic Name: 3-[[ethyl-(3-methoxyphenyl)amino]methyl]benzenesulfonic acid Openeye Name: 3-[(N-ethyl-3-methoxy-anilino)methyl]benzenesulfonic acid CAS Name: 3-[(N-ethyl-3-methoxyanilino)methyl]benzenesulfonic acid IUPAC Name: 3-[(N-ethyl-3-methoxyanilino)methyl]benzenesulfonic acid Traditional Name: 3-[(N-ethyl-3-methoxy-anilino)methyl]besylic acid Formula: C16H19NO4S MolecularWeight: 321.39136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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