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

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 4-chloranyl-3-(dimethylsulfamoyl)benzoate Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butyl 4-chloro-3-(dimethylsulfamoyl)benzoate CAS Name: 4-chloro-3-(dimethylsulfamoyl)benzoic acid 4-(1,3-dioxo-2-isoindolyl)butyl ester IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butyl 4-chloro-3-(dimethylsulfamoyl)benzoate Traditional Name: 4-chloro-3-(dimethylsulfamoyl)benzoic acid 4-phthalimidobutyl ester Formula: C21H21ClN2O6S MolecularWeight: 464.91924

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=C(C=CC(=C1)C(=O)OCCCCN2C(=O)C3=CC=CC=C3C2=O)Cl

Isomeric SMILES

CN(C)S(=O)(=O)C1=C(C=CC(=C1)C(=O)OCCCCN2C(=O)C3=CC=CC=C3C2=O)Cl

InChI

InChI=1S/C21H21ClN2O6S/c1-23(2)31(28,29)18-13-14(9-10-17(18)22)21(27)30-12-6-5-11-24-19(25)15-7-3-4-8-16(15)20(24)26/h3-4,7-10,13H,5-6,11-12H2,1-2H3