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

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butyl 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3,4-dimethylphenyl)sulfonyl-4-piperidinecarboxylic acid 4-(1,3-dioxo-2-isoindolyl)butyl ester IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butyl 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3,4-dimethylphenyl)sulfonylisonipecotic acid 4-phthalimidobutyl ester Formula: C26H30N2O6S MolecularWeight: 498.5912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O6S/c1-18-9-10-21(17-19(18)2)35(32,33)27-14-11-20(12-15-27)26(31)34-16-6-5-13-28-24(29)22-7-3-4-8-23(22)25(28)30/h3-4,7-10,17,20H,5-6,11-16H2,1-2H3