dimethyl 2-[1-[(4-methylphenyl)sulfonylamino]octyl]propanedioate

Systemtic Name: dimethyl 2-[1-[(4-methylphenyl)sulfonylamino]octyl]propanedioate Openeye Name: dimethyl 2-[1-(p-tolylsulfonylamino)octyl]propanedioate CAS Name: 2-[1-[(4-methylphenyl)sulfonylamino]octyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[1-[(4-methylphenyl)sulfonylamino]octyl]propanedioate Traditional Name: 2-[1-(tosylamino)octyl]malonic acid dimethyl ester Formula: C20H31NO6S MolecularWeight: 413.52824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C(C(=O)OC)C(=O)OC)NS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCCCCCC(C(C(=O)OC)C(=O)OC)NS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C20H31NO6S/c1-5-6-7-8-9-10-17(18(19(22)26-3)20(23)27-4)21-28(24,25)16-13-11-15(2)12-14-16/h11-14,17-18,21H,5-10H2,1-4H3