2-[(3,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonyl-amino]ethanoic acid

Systemtic Name: 2-[(3,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonyl-amino]ethanoic acid Openeye Name: 2-[(3,4-dichlorophenyl)methyl-(p-tolylsulfonyl)amino]acetic acid CAS Name: 2-[(3,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetic acid IUPAC Name: 2-[(3,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetic acid Traditional Name: 2-[(3,4-dichlorobenzyl)-tosyl-amino]acetic acid Formula: C16H15Cl2NO4S MolecularWeight: 388.2656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC(=C(C=C2)Cl)Cl)CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC(=C(C=C2)Cl)Cl)CC(=O)O

InChI

InChI=1S/C16H15Cl2NO4S/c1-11-2-5-13(6-3-11)24(22,23)19(10-16(20)21)9-12-4-7-14(17)15(18)8-12/h2-8H,9-10H2,1H3,(H,20,21)