3-[[4-methoxy-3-[methyl-(4-methylphenyl)sulfonyl-amino]phenyl]sulfonylamino]propanoic acid

Systemtic Name: 3-[[4-methoxy-3-[methyl-(4-methylphenyl)sulfonyl-amino]phenyl]sulfonylamino]propanoic acid Openeye Name: 3-[[4-methoxy-3-[methyl(p-tolylsulfonyl)amino]phenyl]sulfonylamino]propanoic acid CAS Name: 3-[[4-methoxy-3-[methyl-(4-methylphenyl)sulfonylamino]phenyl]sulfonylamino]propanoic acid IUPAC Name: 3-[[4-methoxy-3-[methyl-(4-methylphenyl)sulfonylamino]phenyl]sulfonylamino]propanoic acid Traditional Name: 3-[[4-methoxy-3-[methyl(tosyl)amino]phenyl]sulfonylamino]propionic acid Formula: C18H22N2O7S2 MolecularWeight: 442.50648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=C(C=CC(=C2)S(=O)(=O)NCCC(=O)O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=C(C=CC(=C2)S(=O)(=O)NCCC(=O)O)OC

InChI

InChI=1S/C18H22N2O7S2/c1-13-4-6-14(7-5-13)29(25,26)20(2)16-12-15(8-9-17(16)27-3)28(23,24)19-11-10-18(21)22/h4-9,12,19H,10-11H2,1-3H3,(H,21,22)