2-[(3-chloranyl-4-methyl-phenyl)-methylsulfonyl-amino]ethanoic acid

Systemtic Name: 2-[(3-chloranyl-4-methyl-phenyl)-methylsulfonyl-amino]ethanoic acid Openeye Name: 2-(3-chloro-4-methyl-N-methylsulfonyl-anilino)acetic acid CAS Name: 2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetic acid IUPAC Name: 2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetic acid Traditional Name: 2-(3-chloro-N-mesyl-4-methyl-anilino)acetic acid Formula: C10H12ClNO4S MolecularWeight: 277.72458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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