3-[[ethanoyl-(3-methylphenyl)amino]methyl]benzenesulfonic acid

Systemtic Name: 3-[[ethanoyl-(3-methylphenyl)amino]methyl]benzenesulfonic acid Openeye Name: 3-[(N-acetyl-3-methyl-anilino)methyl]benzenesulfonic acid CAS Name: 3-[(N-acetyl-3-methylanilino)methyl]benzenesulfonic acid IUPAC Name: 3-[(N-acetyl-3-methylanilino)methyl]benzenesulfonic acid Traditional Name: 3-[(N-acetyl-3-methyl-anilino)methyl]besylic acid Formula: C16H17NO4S MolecularWeight: 319.37548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO4S/c1-12-5-3-7-15(9-12)17(13(2)18)11-14-6-4-8-16(10-14)22(19,20)21/h3-10H,11H2,1-2H3,(H,19,20,21)