2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid 2-phthalimidoethyl ester Formula: C23H24N2O6S MolecularWeight: 456.51146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCCN2C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCCN2C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C23H24N2O6S/c1-16-9-10-17(15-20(16)32(29,30)24-11-5-2-6-12-24)23(28)31-14-13-25-21(26)18-7-3-4-8-19(18)22(25)27/h3-4,7-10,15H,2,5-6,11-14H2,1H3