2-[[2-methylsulfonyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbonyl-phenyl-amino]ethyl 2-methylprop-2-enoate

Systemtic Name: 2-[[2-methylsulfonyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbonyl-phenyl-amino]ethyl 2-methylprop-2-enoate Openeye Name: 2-(N-(2-methylsulfonyl-1,3-dioxo-isoindoline-5-carbonyl)anilino)ethyl 2-methylprop-2-enoate CAS Name: 2-methyl-2-propenoic acid 2-(N-[(2-methylsulfonyl-1,3-dioxo-5-isoindolyl)-oxomethyl]anilino)ethyl ester IUPAC Name: 2-(N-(2-methylsulfonyl-1,3-dioxoisoindole-5-carbonyl)anilino)ethyl 2-methylprop-2-enoate Traditional Name: 2-methylacrylic acid 2-(N-(1,3-diketo-2-mesyl-isoindoline-5-carbonyl)anilino)ethyl ester Formula: C22H20N2O7S MolecularWeight: 456.4684

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(=O)OCCN(C1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)S(=O)(=O)C

Isomeric SMILES

CC(=C)C(=O)OCCN(C1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)S(=O)(=O)C

InChI

InChI=1S/C22H20N2O7S/c1-14(2)22(28)31-12-11-23(16-7-5-4-6-8-16)19(25)15-9-10-17-18(13-15)21(27)24(20(17)26)32(3,29)30/h4-10,13H,1,11-12H2,2-3H3