2-[(4-methylphenyl)-(phenylsulfonyl)amino]propanoic acid

Systemtic Name: 2-[(4-methylphenyl)-(phenylsulfonyl)amino]propanoic acid Openeye Name: 2-[N-(benzenesulfonyl)-4-methyl-anilino]propanoic acid CAS Name: 2-[N-(benzenesulfonyl)-4-methylanilino]propanoic acid IUPAC Name: 2-[N-(benzenesulfonyl)-4-methylanilino]propanoic acid Traditional Name: 2-(N-besyl-4-methyl-anilino)propionic acid Formula: C16H17NO4S MolecularWeight: 319.37548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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