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

Systemtic Name: 2-[[(4-bromophenyl)carbonylamino]methyl-(4-methylphenyl)sulfonyl-amino]ethanoic acid Openeye Name: 2-[[(4-bromobenzoyl)amino]methyl-(p-tolylsulfonyl)amino]acetic acid CAS Name: 2-[[[(4-bromophenyl)-oxomethyl]amino]methyl-(4-methylphenyl)sulfonylamino]acetic acid IUPAC Name: 2-[[(4-bromobenzoyl)amino]methyl-(4-methylphenyl)sulfonylamino]acetic acid Traditional Name: 2-[[(4-bromobenzoyl)amino]methyl-tosyl-amino]acetic acid Formula: C17H17BrN2O5S MolecularWeight: 441.29628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17BrN2O5S/c1-12-2-8-15(9-3-12)26(24,25)20(10-16(21)22)11-19-17(23)13-4-6-14(18)7-5-13/h2-9H,10-11H2,1H3,(H,19,23)(H,21,22)