3-acetamido-4-(4-methylphenyl)sulfonyl-benzoic acid

Systemtic Name: 3-acetamido-4-(4-methylphenyl)sulfonyl-benzoic acid Openeye Name: 3-acetamido-4-(p-tolylsulfonyl)benzoic acid CAS Name: 3-acetamido-4-(4-methylphenyl)sulfonylbenzoic acid IUPAC Name: 3-acetamido-4-(4-methylphenyl)sulfonylbenzoic acid Traditional Name: 3-acetamido-4-tosyl-benzoic acid Formula: C16H15NO5S MolecularWeight: 333.359

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO5S/c1-10-3-6-13(7-4-10)23(21,22)15-8-5-12(16(19)20)9-14(15)17-11(2)18/h3-9H,1-2H3,(H,17,18)(H,19,20)