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

Systemtic Name: 3-[[(2-ethoxy-5-methyl-phenyl)-ethyl-amino]methyl]benzenesulfonic acid Openeye Name: 3-[(2-ethoxy-N-ethyl-5-methyl-anilino)methyl]benzenesulfonic acid CAS Name: 3-[(2-ethoxy-N-ethyl-5-methylanilino)methyl]benzenesulfonic acid IUPAC Name: 3-[(2-ethoxy-N-ethyl-5-methylanilino)methyl]benzenesulfonic acid Traditional Name: 3-[(2-ethoxy-N-ethyl-5-methyl-anilino)methyl]besylic acid Formula: C18H23NO4S MolecularWeight: 349.44452

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=C(C=CC(=C2)C)OCC

Isomeric SMILES

CCN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=C(C=CC(=C2)C)OCC

InChI

InChI=1S/C18H23NO4S/c1-4-19(17-11-14(3)9-10-18(17)23-5-2)13-15-7-6-8-16(12-15)24(20,21)22/h6-12H,4-5,13H2,1-3H3,(H,20,21,22)