4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 3-(4-chlorophenyl)sulfonylpropanoate

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 3-(4-chlorophenyl)sulfonylpropanoate Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butyl 3-(4-chlorophenyl)sulfonylpropanoate CAS Name: 3-(4-chlorophenyl)sulfonylpropanoic acid 4-(1,3-dioxo-2-isoindolyl)butyl ester IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butyl 3-(4-chlorophenyl)sulfonylpropanoate Traditional Name: 3-(4-chlorophenyl)sulfonylpropionic acid 4-phthalimidobutyl ester Formula: C21H20ClNO6S MolecularWeight: 449.9046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCOC(=O)CCS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCOC(=O)CCS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H20ClNO6S/c22-15-7-9-16(10-8-15)30(27,28)14-11-19(24)29-13-4-3-12-23-20(25)17-5-1-2-6-18(17)21(23)26/h1-2,5-10H,3-4,11-14H2