2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 2-chloranyl-5-methylsulfonyl-benzoate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid 2-phthalimidoethyl ester Formula: C18H14ClNO6S MolecularWeight: 407.82486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)OCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)OCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C18H14ClNO6S/c1-27(24,25)11-6-7-15(19)14(10-11)18(23)26-9-8-20-16(21)12-4-2-3-5-13(12)17(20)22/h2-7,10H,8-9H2,1H3