4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 4-(4-methylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 4-(4-methylpiperidin-1-yl)sulfonylbenzoate Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butyl 4-[(4-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-[(4-methyl-1-piperidinyl)sulfonyl]benzoic acid 4-(1,3-dioxo-2-isoindolyl)butyl ester IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butyl 4-(4-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-(4-methylpiperidino)sulfonylbenzoic acid 4-phthalimidobutyl ester Formula: C25H28N2O6S MolecularWeight: 484.56462

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

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