2-[(2-chloranyl-6-fluoranyl-phenyl)methyl-(4-methylphenyl)sulfonyl-amino]ethanoic acid

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methyl-(4-methylphenyl)sulfonyl-amino]ethanoic acid Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methyl-(p-tolylsulfonyl)amino]acetic acid CAS Name: 2-[(2-chloro-6-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetic acid IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetic acid Traditional Name: 2-[(2-chloro-6-fluoro-benzyl)-tosyl-amino]acetic acid Formula: C16H15ClFNO4S MolecularWeight: 371.811003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=C(C=CC=C2Cl)F)CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=C(C=CC=C2Cl)F)CC(=O)O

InChI

InChI=1S/C16H15ClFNO4S/c1-11-5-7-12(8-6-11)24(22,23)19(10-16(20)21)9-13-14(17)3-2-4-15(13)18/h2-8H,9-10H2,1H3,(H,20,21)