N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-phenyl-N-(2-thiophen-2-ylethyl)propanamide

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-phenyl-N-(2-thiophen-2-ylethyl)propanamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-phenyl-N-[2-(2-thienyl)ethyl]propanamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-phenyl-N-(2-thiophen-2-ylethyl)propanamide IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-phenyl-N-(2-thiophen-2-ylethyl)propanamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-3-phenyl-N-[2-(2-thienyl)ethyl]propionamide Formula: C23H22N2O3S3 MolecularWeight: 470.62738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)N(CCC3=CC=CS3)C(=O)CCC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)N(CCC3=CC=CS3)C(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C23H22N2O3S3/c1-31(27,28)19-10-11-20-21(16-19)30-23(24-20)25(14-13-18-8-5-15-29-18)22(26)12-9-17-6-3-2-4-7-17/h2-8,10-11,15-16H,9,12-14H2,1H3