2-[(3-chloranyl-2-methyl-phenyl)-(phenylsulfonyl)amino]propanoic acid

Systemtic Name: 2-[(3-chloranyl-2-methyl-phenyl)-(phenylsulfonyl)amino]propanoic acid Openeye Name: 2-[N-(benzenesulfonyl)-3-chloro-2-methyl-anilino]propanoic acid CAS Name: 2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]propanoic acid IUPAC Name: 2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]propanoic acid Traditional Name: 2-(N-besyl-3-chloro-2-methyl-anilino)propionic acid Formula: C16H16ClNO4S MolecularWeight: 353.82054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N(C(C)C(=O)O)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=C(C=CC=C1Cl)N(C(C)C(=O)O)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H16ClNO4S/c1-11-14(17)9-6-10-15(11)18(12(2)16(19)20)23(21,22)13-7-4-3-5-8-13/h3-10,12H,1-2H3,(H,19,20)