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

Systemtic Name: [3-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [3-(1,3-dioxoisoindolin-2-yl)phenyl] 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid [3-(1,3-dioxo-2-isoindolyl)phenyl] ester IUPAC Name: [3-(1,3-dioxoisoindol-2-yl)phenyl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid (3-phthalimidophenyl) ester Formula: C27H24N2O6S MolecularWeight: 504.55426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC2=CC=CC(=C2)N3C(=O)C4=CC=CC=C4C3=O)S(=O)(=O)N5CCCCC5

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC2=CC=CC(=C2)N3C(=O)C4=CC=CC=C4C3=O)S(=O)(=O)N5CCCCC5

InChI

InChI=1S/C27H24N2O6S/c1-18-12-13-19(16-24(18)36(33,34)28-14-5-2-6-15-28)27(32)35-21-9-7-8-20(17-21)29-25(30)22-10-3-4-11-23(22)26(29)31/h3-4,7-13,16-17H,2,5-6,14-15H2,1H3