2-[(4-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]ethanoic acid

Systemtic Name: 2-[(4-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]ethanoic acid Openeye Name: 2-(4-chloro-2-methyl-N-methylsulfonyl-anilino)acetic acid CAS Name: 2-(4-chloro-2-methyl-N-methylsulfonylanilino)acetic acid IUPAC Name: 2-(4-chloro-2-methyl-N-methylsulfonylanilino)acetic acid Traditional Name: 2-(4-chloro-N-mesyl-2-methyl-anilino)acetic acid Formula: C10H12ClNO4S MolecularWeight: 277.72458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12ClNO4S/c1-7-5-8(11)3-4-9(7)12(6-10(13)14)17(2,15)16/h3-5H,6H2,1-2H3,(H,13,14)