4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butyl 1-(p-tolylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-4-piperidinecarboxylic acid 4-(1,3-dioxo-2-isoindolyl)butyl ester IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butyl 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-tosylisonipecotic acid 4-phthalimidobutyl ester Formula: C25H28N2O6S MolecularWeight: 484.56462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C25H28N2O6S/c1-18-8-10-20(11-9-18)34(31,32)26-15-12-19(13-16-26)25(30)33-17-5-4-14-27-23(28)21-6-2-3-7-22(21)24(27)29/h2-3,6-11,19H,4-5,12-17H2,1H3