diethyl 2-[[(4-methylphenyl)sulfonylamino]-phenyl-methyl]propanedioate

Systemtic Name: diethyl 2-[[(4-methylphenyl)sulfonylamino]-phenyl-methyl]propanedioate Openeye Name: diethyl 2-[phenyl-(p-tolylsulfonylamino)methyl]propanedioate CAS Name: 2-[[(4-methylphenyl)sulfonylamino]-phenylmethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[(4-methylphenyl)sulfonylamino]-phenylmethyl]propanedioate Traditional Name: 2-[phenyl-(tosylamino)methyl]malonic acid diethyl ester Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C(C1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C)C(=O)OCC

InChI

InChI=1S/C21H25NO6S/c1-4-27-20(23)18(21(24)28-5-2)19(16-9-7-6-8-10-16)22-29(25,26)17-13-11-15(3)12-14-17/h6-14,18-19,22H,4-5H2,1-3H3