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

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-methoxy-3-(1-pyrrolidinylsulfonyl)benzoic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-pyrrolidinosulfonyl-benzoic acid 2-phthalimidoethyl ester Formula: C22H22N2O7S MolecularWeight: 458.48428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCCN2C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCCN2C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H22N2O7S/c1-30-18-9-8-15(14-19(18)32(28,29)23-10-4-5-11-23)22(27)31-13-12-24-20(25)16-6-2-3-7-17(16)21(24)26/h2-3,6-9,14H,4-5,10-13H2,1H3