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

Systemtic Name: [1,3-bis(oxidanylidene)isoindol-2-yl]methyl 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: (1,3-dioxoisoindolin-2-yl)methyl 4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoic acid (1,3-dioxo-2-isoindolyl)methyl ester IUPAC Name: (1,3-dioxoisoindol-2-yl)methyl 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-pyrrolidinosulfonyl-benzoic acid phthalimidomethyl ester Formula: C20H17ClN2O6S MolecularWeight: 448.87678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCN3C(=O)C4=CC=CC=C4C3=O)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCN3C(=O)C4=CC=CC=C4C3=O)Cl

InChI

InChI=1S/C20H17ClN2O6S/c21-16-8-7-13(11-17(16)30(27,28)22-9-3-4-10-22)20(26)29-12-23-18(24)14-5-1-2-6-15(14)19(23)25/h1-2,5-8,11H,3-4,9-10,12H2