4-chloranyl-3-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfonyl-benzoic acid

Systemtic Name: 4-chloranyl-3-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfonyl-benzoic acid Openeye Name: 4-chloro-3-[2-(dimethylamino)-2-oxo-ethyl]sulfonyl-benzoic acid CAS Name: 4-chloro-3-[2-(dimethylamino)-2-oxoethyl]sulfonylbenzoic acid IUPAC Name: 4-chloro-3-[2-(dimethylamino)-2-oxoethyl]sulfonylbenzoic acid Traditional Name: 4-chloro-3-[2-(dimethylamino)-2-keto-ethyl]sulfonyl-benzoic acid Formula: C11H12ClNO5S MolecularWeight: 305.73468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)Cl

Isomeric SMILES

CN(C)C(=O)CS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)Cl

InChI

InChI=1S/C11H12ClNO5S/c1-13(2)10(14)6-19(17,18)9-5-7(11(15)16)3-4-8(9)12/h3-5H,6H2,1-2H3,(H,15,16)