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

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid 2-phthalimidoethyl ester Formula: C21H20N2O6S MolecularWeight: 428.4583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O6S/c24-19-17-5-1-2-6-18(17)20(25)23(19)13-14-29-21(26)15-7-9-16(10-8-15)30(27,28)22-11-3-4-12-22/h1-2,5-10H,3-4,11-14H2