4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butyl 2-chloro-5-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 2-chloro-5-(1-pyrrolidinylsulfonyl)benzoic acid 4-(1,3-dioxo-2-isoindolyl)butyl ester IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butyl 2-chloro-5-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-pyrrolidinosulfonyl-benzoic acid 4-phthalimidobutyl ester Formula: C23H23ClN2O6S MolecularWeight: 490.95652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C23H23ClN2O6S/c24-20-10-9-16(33(30,31)25-11-3-4-12-25)15-19(20)23(29)32-14-6-5-13-26-21(27)17-7-1-2-8-18(17)22(26)28/h1-2,7-10,15H,3-6,11-14H2