N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)sulfonyl-propanamide

Systemtic Name: N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)sulfonyl-propanamide Openeye Name: N-[4-(2,5-dimethylphenyl)thiazol-2-yl]-3-(p-tolylsulfonyl)propanamide CAS Name: N-[4-(2,5-dimethylphenyl)-2-thiazolyl]-3-(4-methylphenyl)sulfonylpropanamide IUPAC Name: N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)sulfonylpropanamide Traditional Name: N-[4-(2,5-dimethylphenyl)thiazol-2-yl]-3-tosyl-propionamide Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=NC(=CS2)C3=C(C=CC(=C3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=NC(=CS2)C3=C(C=CC(=C3)C)C

InChI

InChI=1S/C21H22N2O3S2/c1-14-5-8-17(9-6-14)28(25,26)11-10-20(24)23-21-22-19(13-27-21)18-12-15(2)4-7-16(18)3/h4-9,12-13H,10-11H2,1-3H3,(H,22,23,24)