4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 2-methyl-5-methylsulfonyl-benzoate Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butyl 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid 4-(1,3-dioxo-2-isoindolyl)butyl ester IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butyl 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid 4-phthalimidobutyl ester Formula: C21H21NO6S MolecularWeight: 415.45954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCCCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCCCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H21NO6S/c1-14-9-10-15(29(2,26)27)13-18(14)21(25)28-12-6-5-11-22-19(23)16-7-3-4-8-17(16)20(22)24/h3-4,7-10,13H,5-6,11-12H2,1-2H3