4-chloranyl-3-[4-(2-oxidanylidenepyrrolidin-1-yl)phenoxy]sulfonyl-benzoic acid

Systemtic Name: 4-chloranyl-3-[4-(2-oxidanylidenepyrrolidin-1-yl)phenoxy]sulfonyl-benzoic acid Openeye Name: 4-chloro-3-[4-(2-oxopyrrolidin-1-yl)phenoxy]sulfonyl-benzoic acid CAS Name: 4-chloro-3-[4-(2-oxo-1-pyrrolidinyl)phenoxy]sulfonylbenzoic acid IUPAC Name: 4-chloro-3-[4-(2-oxopyrrolidin-1-yl)phenoxy]sulfonylbenzoic acid Traditional Name: 4-chloro-3-[4-(2-ketopyrrolidino)phenoxy]sulfonyl-benzoic acid Formula: C17H14ClNO6S MolecularWeight: 395.81416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)OS(=O)(=O)C3=C(C=CC(=C3)C(=O)O)Cl

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)OS(=O)(=O)C3=C(C=CC(=C3)C(=O)O)Cl

InChI

InChI=1S/C17H14ClNO6S/c18-14-8-3-11(17(21)22)10-15(14)26(23,24)25-13-6-4-12(5-7-13)19-9-1-2-16(19)20/h3-8,10H,1-2,9H2,(H,21,22)