2-[(2,6-dimethylphenyl)-(phenylsulfonyl)amino]propanoic acid

Systemtic Name: 2-[(2,6-dimethylphenyl)-(phenylsulfonyl)amino]propanoic acid Openeye Name: 2-[N-(benzenesulfonyl)-2,6-dimethyl-anilino]propanoic acid CAS Name: 2-[N-(benzenesulfonyl)-2,6-dimethylanilino]propanoic acid IUPAC Name: 2-[N-(benzenesulfonyl)-2,6-dimethylanilino]propanoic acid Traditional Name: 2-(N-besyl-2,6-dimethyl-anilino)propionic acid Formula: C17H19NO4S MolecularWeight: 333.40206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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