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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=CSC(=N2)NC(=O)CCS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=CSC(=N2)NC(=O)CCS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O3S2/c1-15-8-9-16(2)18(12-15)19-13-27-21(22-19)23-20(24)10-11-28(25,26)14-17-6-4-3-5-7-17/h3-9,12-13H,10-11,14H2,1-2H3,(H,22,23,24)