(4-morpholin-4-ylsulfonylphenyl)methyl 2-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate

Systemtic Name: (4-morpholin-4-ylsulfonylphenyl)methyl 2-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate Openeye Name: (4-morpholinosulfonylphenyl)methyl 2-(5-bromo-1,3-dioxo-isoindolin-2-yl)acetate CAS Name: 2-(5-bromo-1,3-dioxo-2-isoindolyl)acetic acid [4-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (4-morpholin-4-ylsulfonylphenyl)methyl 2-(5-bromo-1,3-dioxoisoindol-2-yl)acetate Traditional Name: 2-(5-bromo-1,3-diketo-isoindolin-2-yl)acetic acid (4-morpholinosulfonylbenzyl) ester Formula: C21H19BrN2O7S MolecularWeight: 523.35376

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)COC(=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)Br

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)COC(=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)Br

InChI

InChI=1S/C21H19BrN2O7S/c22-15-3-6-17-18(11-15)21(27)24(20(17)26)12-19(25)31-13-14-1-4-16(5-2-14)32(28,29)23-7-9-30-10-8-23/h1-6,11H,7-10,12-13H2