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

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-pyrrolidinosulfonyl-benzoic acid 2-phthalimidoethyl ester Formula: C21H19ClN2O6S MolecularWeight: 462.90336

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCCN3C(=O)C4=CC=CC=C4C3=O)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCCN3C(=O)C4=CC=CC=C4C3=O)Cl

InChI

InChI=1S/C21H19ClN2O6S/c22-17-8-7-14(13-18(17)31(28,29)23-9-3-4-10-23)21(27)30-12-11-24-19(25)15-5-1-2-6-16(15)20(24)26/h1-2,5-8,13H,3-4,9-12H2