2-[3-[3-(3-chlorophenyl)propyl-methylsulfonyl-amino]propyl]-1,3-thiazole-4-carboxylic acid

Systemtic Name: 2-[3-[3-(3-chlorophenyl)propyl-methylsulfonyl-amino]propyl]-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[3-[3-(3-chlorophenyl)propyl-methylsulfonyl-amino]propyl]thiazole-4-carboxylic acid CAS Name: 2-[3-[3-(3-chlorophenyl)propyl-methylsulfonylamino]propyl]-4-thiazolecarboxylic acid IUPAC Name: 2-[3-[3-(3-chlorophenyl)propyl-methylsulfonylamino]propyl]-1,3-thiazole-4-carboxylic acid Traditional Name: 2-[3-[3-(3-chlorophenyl)propyl-mesyl-amino]propyl]thiazole-4-carboxylic acid Formula: C17H21ClN2O4S2 MolecularWeight: 416.94264

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CCCC1=CC(=CC=C1)Cl)CCCC2=NC(=CS2)C(=O)O

Isomeric SMILES

CS(=O)(=O)N(CCCC1=CC(=CC=C1)Cl)CCCC2=NC(=CS2)C(=O)O

InChI

InChI=1S/C17H21ClN2O4S2/c1-26(23,24)20(9-3-6-13-5-2-7-14(18)11-13)10-4-8-16-19-15(12-25-16)17(21)22/h2,5,7,11-12H,3-4,6,8-10H2,1H3,(H,21,22)