2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonyl-amino]ethanoic acid

Systemtic Name: 2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonyl-amino]ethanoic acid Openeye Name: 2-[(4-bromophenyl)methyl-(p-tolylsulfonyl)amino]acetic acid CAS Name: 2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]acetic acid IUPAC Name: 2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]acetic acid Traditional Name: 2-[(4-bromobenzyl)-tosyl-amino]acetic acid Formula: C16H16BrNO4S MolecularWeight: 398.27154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16BrNO4S/c1-12-2-8-15(9-3-12)23(21,22)18(11-16(19)20)10-13-4-6-14(17)7-5-13/h2-9H,10-11H2,1H3,(H,19,20)