methyl 2-[[3-methylbutyl-(2,4,6-trimethylphenyl)sulfonyl-amino]methyl]-1,3-thiazole-4-carboxylate

Systemtic Name: methyl 2-[[3-methylbutyl-(2,4,6-trimethylphenyl)sulfonyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[[isopentyl-(2,4,6-trimethylphenyl)sulfonyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[3-methylbutyl-(2,4,6-trimethylphenyl)sulfonylamino]methyl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[3-methylbutyl-(2,4,6-trimethylphenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[isoamyl(mesitylsulfonyl)amino]methyl]thiazole-4-carboxylic acid methyl ester Formula: C20H28N2O4S2 MolecularWeight: 424.57732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N(CCC(C)C)CC2=NC(=CS2)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N(CCC(C)C)CC2=NC(=CS2)C(=O)OC)C

InChI

InChI=1S/C20H28N2O4S2/c1-13(2)7-8-22(11-18-21-17(12-27-18)20(23)26-6)28(24,25)19-15(4)9-14(3)10-16(19)5/h9-10,12-13H,7-8,11H2,1-6H3