2-[(3-methylphenyl)-(phenylsulfonyl)amino]propanoic acid

Systemtic Name: 2-[(3-methylphenyl)-(phenylsulfonyl)amino]propanoic acid Openeye Name: 2-[N-(benzenesulfonyl)-3-methyl-anilino]propanoic acid CAS Name: 2-[N-(benzenesulfonyl)-3-methylanilino]propanoic acid IUPAC Name: 2-[N-(benzenesulfonyl)-3-methylanilino]propanoic acid Traditional Name: 2-(N-besyl-3-methyl-anilino)propionic acid Formula: C16H17NO4S MolecularWeight: 319.37548

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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

Isomeric SMILES

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

InChI

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