2-[[4-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[benzyl(p-tolylsulfonyl)amino]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[benzyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[benzyl(tosyl)amino]benzoyl]amino]glutaric acid Formula: C26H26N2O7S MolecularWeight: 510.55884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C26H26N2O7S/c1-18-7-13-22(14-8-18)36(34,35)28(17-19-5-3-2-4-6-19)21-11-9-20(10-12-21)25(31)27-23(26(32)33)15-16-24(29)30/h2-14,23H,15-17H2,1H3,(H,27,31)(H,29,30)(H,32,33)