3-[[(3-acetamidophenyl)-methyl-amino]methyl]benzenesulfonic acid

Systemtic Name: 3-[[(3-acetamidophenyl)-methyl-amino]methyl]benzenesulfonic acid Openeye Name: 3-[(3-acetamido-N-methyl-anilino)methyl]benzenesulfonic acid CAS Name: 3-[(3-acetamido-N-methylanilino)methyl]benzenesulfonic acid IUPAC Name: 3-[(3-acetamido-N-methylanilino)methyl]benzenesulfonic acid Traditional Name: 3-[(3-acetamido-N-methyl-anilino)methyl]besylic acid Formula: C16H18N2O4S MolecularWeight: 334.39012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)N(C)CC2=CC(=CC=C2)S(=O)(=O)O

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)N(C)CC2=CC(=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C16H18N2O4S/c1-12(19)17-14-6-4-7-15(10-14)18(2)11-13-5-3-8-16(9-13)23(20,21)22/h3-10H,11H2,1-2H3,(H,17,19)(H,20,21,22)