2-[[3-cyclopentyl-2-(4-methylsulfonylphenyl)propanoyl]amino]-1,3-thiazole-4-carboxylic acid

Systemtic Name: 2-[[3-cyclopentyl-2-(4-methylsulfonylphenyl)propanoyl]amino]-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[[3-cyclopentyl-2-(4-methylsulfonylphenyl)propanoyl]amino]thiazole-4-carboxylic acid CAS Name: 2-[[3-cyclopentyl-2-(4-methylsulfonylphenyl)-1-oxopropyl]amino]-4-thiazolecarboxylic acid IUPAC Name: 2-[[3-cyclopentyl-2-(4-methylsulfonylphenyl)propanoyl]amino]-1,3-thiazole-4-carboxylic acid Traditional Name: 2-[[3-cyclopentyl-2-(4-mesylphenyl)propanoyl]amino]thiazole-4-carboxylic acid Formula: C19H22N2O5S2 MolecularWeight: 422.51838

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(CC2CCCC2)C(=O)NC3=NC(=CS3)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(CC2CCCC2)C(=O)NC3=NC(=CS3)C(=O)O

InChI

InChI=1S/C19H22N2O5S2/c1-28(25,26)14-8-6-13(7-9-14)15(10-12-4-2-3-5-12)17(22)21-19-20-16(11-27-19)18(23)24/h6-9,11-12,15H,2-5,10H2,1H3,(H,23,24)(H,20,21,22)