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

Systemtic Name: 3-[[(5-acetamido-2-methoxy-phenyl)-butyl-amino]methyl]benzenesulfonic acid Openeye Name: 3-[(5-acetamido-N-butyl-2-methoxy-anilino)methyl]benzenesulfonic acid CAS Name: 3-[(5-acetamido-N-butyl-2-methoxyanilino)methyl]benzenesulfonic acid IUPAC Name: 3-[(5-acetamido-N-butyl-2-methoxyanilino)methyl]benzenesulfonic acid Traditional Name: 3-[(5-acetamido-N-butyl-2-methoxy-anilino)methyl]besylic acid Formula: C20H26N2O5S MolecularWeight: 406.49584

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=C(C=CC(=C2)NC(=O)C)OC

Isomeric SMILES

CCCCN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=C(C=CC(=C2)NC(=O)C)OC

InChI

InChI=1S/C20H26N2O5S/c1-4-5-11-22(14-16-7-6-8-18(12-16)28(24,25)26)19-13-17(21-15(2)23)9-10-20(19)27-3/h6-10,12-13H,4-5,11,14H2,1-3H3,(H,21,23)(H,24,25,26)