2-[(3,5-dimethylphenyl)-(phenylsulfonyl)amino]propanoic acid

Systemtic Name: 2-[(3,5-dimethylphenyl)-(phenylsulfonyl)amino]propanoic acid Openeye Name: 2-[N-(benzenesulfonyl)-3,5-dimethyl-anilino]propanoic acid CAS Name: 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]propanoic acid IUPAC Name: 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]propanoic acid Traditional Name: 2-(N-besyl-3,5-dimethyl-anilino)propionic acid Formula: C17H19NO4S MolecularWeight: 333.40206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO4S/c1-12-9-13(2)11-15(10-12)18(14(3)17(19)20)23(21,22)16-7-5-4-6-8-16/h4-11,14H,1-3H3,(H,19,20)