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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC1=NC(=CS1)C(=O)OC)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCN(CC1=NC(=CS1)C(=O)OC)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C18H24N2O4S2/c1-4-5-6-11-20(12-17-19-16(13-25-17)18(21)24-3)26(22,23)15-9-7-14(2)8-10-15/h7-10,13H,4-6,11-12H2,1-3H3