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

Systemtic Name: dimethyl 2-[[(4-methylphenyl)sulfonylamino]-phenyl-methyl]propanedioate Openeye Name: dimethyl 2-[phenyl-(p-tolylsulfonylamino)methyl]propanedioate CAS Name: 2-[[(4-methylphenyl)sulfonylamino]-phenylmethyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[[(4-methylphenyl)sulfonylamino]-phenylmethyl]propanedioate Traditional Name: 2-[phenyl-(tosylamino)methyl]malonic acid dimethyl ester Formula: C19H21NO6S MolecularWeight: 391.43814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C2=CC=CC=C2)C(C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(C2=CC=CC=C2)C(C(=O)OC)C(=O)OC

InChI

InChI=1S/C19H21NO6S/c1-13-9-11-15(12-10-13)27(23,24)20-17(14-7-5-4-6-8-14)16(18(21)25-2)19(22)26-3/h4-12,16-17,20H,1-3H3