[2-[methyl(phenyl)amino]-2-oxidanylidene-ethyl] 4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate

Systemtic Name: [2-[methyl(phenyl)amino]-2-oxidanylidene-ethyl] 4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate Openeye Name: [2-(N-methylanilino)-2-oxo-ethyl] 4-methyl-2-(p-tolylsulfonylamino)pentanoate CAS Name: 4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoic acid [2-(N-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(N-methylanilino)-2-oxoethyl] 4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate Traditional Name: 4-methyl-2-(tosylamino)valeric acid [2-keto-2-(N-methylanilino)ethyl] ester Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(C)C)C(=O)OCC(=O)N(C)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(C)C)C(=O)OCC(=O)N(C)C2=CC=CC=C2

InChI

InChI=1S/C22H28N2O5S/c1-16(2)14-20(23-30(27,28)19-12-10-17(3)11-13-19)22(26)29-15-21(25)24(4)18-8-6-5-7-9-18/h5-13,16,20,23H,14-15H2,1-4H3