2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 4-chloranyl-3-methylsulfonyl-benzoate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 4-chloranyl-3-methylsulfonyl-benzoate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 4-chloro-3-methylsulfonyl-benzoate CAS Name: 4-chloro-3-methylsulfonylbenzoic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 4-chloro-3-methylsulfonylbenzoate Traditional Name: 4-chloro-3-mesyl-benzoic acid 2-phthalimidoethyl ester Formula: C18H14ClNO6S MolecularWeight: 407.82486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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