4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 2-methyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 2-methyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butyl 2-methyl-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-methyl-5-(1-piperidinylsulfonyl)benzoic acid 4-(1,3-dioxo-2-isoindolyl)butyl ester IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butyl 2-methyl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-methyl-5-piperidinosulfonyl-benzoic acid 4-phthalimidobutyl ester Formula: C25H28N2O6S MolecularWeight: 484.56462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OCCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OCCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C25H28N2O6S/c1-18-11-12-19(34(31,32)26-13-5-2-6-14-26)17-22(18)25(30)33-16-8-7-15-27-23(28)20-9-3-4-10-21(20)24(27)29/h3-4,9-12,17H,2,5-8,13-16H2,1H3