[2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate

Systemtic Name: [2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate Openeye Name: [2-(2-bromo-4-methyl-anilino)-2-oxo-ethyl] 3-methyl-2-(p-tolylsulfonylamino)butanoate CAS Name: 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoic acid [2-(2-bromo-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-methylanilino)-2-oxoethyl] 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate Traditional Name: 3-methyl-2-(tosylamino)butyric acid [2-(2-bromo-4-methyl-anilino)-2-keto-ethyl] ester Formula: C21H25BrN2O5S MolecularWeight: 497.4026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)OCC(=O)NC2=C(C=C(C=C2)C)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)OCC(=O)NC2=C(C=C(C=C2)C)Br

InChI

InChI=1S/C21H25BrN2O5S/c1-13(2)20(24-30(27,28)16-8-5-14(3)6-9-16)21(26)29-12-19(25)23-18-10-7-15(4)11-17(18)22/h5-11,13,20,24H,12H2,1-4H3,(H,23,25)