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

Systemtic Name: methyl 2-[[3-methylbutyl-(4-methylphenyl)sulfonyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[[isopentyl(p-tolylsulfonyl)amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[3-methylbutyl-(4-methylphenyl)sulfonylamino]methyl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[3-methylbutyl-(4-methylphenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[isoamyl(tosyl)amino]methyl]thiazole-4-carboxylic acid methyl ester Formula: C18H24N2O4S2 MolecularWeight: 396.52416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O4S2/c1-13(2)9-10-20(11-17-19-16(12-25-17)18(21)24-4)26(22,23)15-7-5-14(3)6-8-15/h5-8,12-13H,9-11H2,1-4H3