2-[[4-[(4-methylsulfonylphenyl)carbonylamino]phenyl]sulfonylamino]ethanoic acid

Systemtic Name: 2-[[4-[(4-methylsulfonylphenyl)carbonylamino]phenyl]sulfonylamino]ethanoic acid Openeye Name: 2-[[4-[(4-methylsulfonylbenzoyl)amino]phenyl]sulfonylamino]acetic acid CAS Name: 2-[[4-[[(4-methylsulfonylphenyl)-oxomethyl]amino]phenyl]sulfonylamino]acetic acid IUPAC Name: 2-[[4-[(4-methylsulfonylbenzoyl)amino]phenyl]sulfonylamino]acetic acid Traditional Name: 2-[[4-[(4-mesylbenzoyl)amino]phenyl]sulfonylamino]acetic acid Formula: C16H16N2O7S2 MolecularWeight: 412.43744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC(=O)O

InChI

InChI=1S/C16H16N2O7S2/c1-26(22,23)13-6-2-11(3-7-13)16(21)18-12-4-8-14(9-5-12)27(24,25)17-10-15(19)20/h2-9,17H,10H2,1H3,(H,18,21)(H,19,20)