3-(phenylsulfonyl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]propanamide

Systemtic Name: 3-(phenylsulfonyl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]propanamide Openeye Name: 3-(benzenesulfonyl)-N-[4-(2,4,5-trimethylphenyl)thiazol-2-yl]propanamide CAS Name: 3-(benzenesulfonyl)-N-[4-(2,4,5-trimethylphenyl)-2-thiazolyl]propanamide IUPAC Name: 3-(benzenesulfonyl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]propanamide Traditional Name: 3-besyl-N-[4-(2,4,5-trimethylphenyl)thiazol-2-yl]propionamide Formula: C21H22N2O3S2 MolecularWeight: 414.54098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2=CSC(=N2)NC(=O)CCS(=O)(=O)C3=CC=CC=C3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C2=CSC(=N2)NC(=O)CCS(=O)(=O)C3=CC=CC=C3)C)C

InChI

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