5-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-[[4-(4-chloranylphenoxy)phenyl]sulfonylamino]pentanoic acid

Systemtic Name: 5-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-[[4-(4-chloranylphenoxy)phenyl]sulfonylamino]pentanoic acid Openeye Name: 2-[[4-(4-chlorophenoxy)phenyl]sulfonylamino]-5-(1,3-dioxoisoindolin-2-yl)pentanoic acid CAS Name: 2-[[4-(4-chlorophenoxy)phenyl]sulfonylamino]-5-(1,3-dioxo-2-isoindolyl)pentanoic acid IUPAC Name: 2-[[4-(4-chlorophenoxy)phenyl]sulfonylamino]-5-(1,3-dioxoisoindol-2-yl)pentanoic acid Traditional Name: 2-[[4-(4-chlorophenoxy)phenyl]sulfonylamino]-5-phthalimido-valeric acid Formula: C25H21ClN2O7S MolecularWeight: 528.96144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(C(=O)O)NS(=O)(=O)C3=CC=C(C=C3)OC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(C(=O)O)NS(=O)(=O)C3=CC=C(C=C3)OC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H21ClN2O7S/c26-16-7-9-17(10-8-16)35-18-11-13-19(14-12-18)36(33,34)27-22(25(31)32)6-3-15-28-23(29)20-4-1-2-5-21(20)24(28)30/h1-2,4-5,7-14,22,27H,3,6,15H2,(H,31,32)