methyl 2-[3-(4-piperidin-1-ylsulfonylphenyl)propanoylamino]-1,3-thiazole-5-carboxylate

Systemtic Name: methyl 2-[3-(4-piperidin-1-ylsulfonylphenyl)propanoylamino]-1,3-thiazole-5-carboxylate Openeye Name: methyl 2-[3-[4-(1-piperidylsulfonyl)phenyl]propanoylamino]thiazole-5-carboxylate CAS Name: 2-[[1-oxo-3-[4-(1-piperidinylsulfonyl)phenyl]propyl]amino]-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[3-(4-piperidin-1-ylsulfonylphenyl)propanoylamino]-1,3-thiazole-5-carboxylate Traditional Name: 2-[3-(4-piperidinosulfonylphenyl)propanoylamino]thiazole-5-carboxylic acid methyl ester Formula: C19H23N3O5S2 MolecularWeight: 437.53302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(S1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC(=O)C1=CN=C(S1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C19H23N3O5S2/c1-27-18(24)16-13-20-19(28-16)21-17(23)10-7-14-5-8-15(9-6-14)29(25,26)22-11-3-2-4-12-22/h5-6,8-9,13H,2-4,7,10-12H2,1H3,(H,20,21,23)