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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CCS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CCS(=O)(=O)CC3=CC=CC=C3

InChI

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