methyl 6-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propyl-(4-methylphenyl)sulfonyl-amino]hexanoate

Systemtic Name: methyl 6-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propyl-(4-methylphenyl)sulfonyl-amino]hexanoate Openeye Name: methyl 6-[3-(1,3-dioxoisoindolin-2-yl)propyl-(p-tolylsulfonyl)amino]hexanoate CAS Name: 6-[3-(1,3-dioxo-2-isoindolyl)propyl-(4-methylphenyl)sulfonylamino]hexanoic acid methyl ester IUPAC Name: methyl 6-[3-(1,3-dioxoisoindol-2-yl)propyl-(4-methylphenyl)sulfonylamino]hexanoate Traditional Name: 6-[3-phthalimidopropyl(tosyl)amino]hexanoic acid methyl ester Formula: C25H30N2O6S MolecularWeight: 486.5805

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCCCCC(=O)OC)CCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCCCCC(=O)OC)CCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C25H30N2O6S/c1-19-12-14-20(15-13-19)34(31,32)26(16-7-3-4-11-23(28)33-2)17-8-18-27-24(29)21-9-5-6-10-22(21)25(27)30/h5-6,9-10,12-15H,3-4,7-8,11,16-18H2,1-2H3