N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-methylsulfonyl-benzamide

Systemtic Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-methylsulfonyl-benzamide Openeye Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-methylsulfonyl-benzamide CAS Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-methylsulfonylbenzamide IUPAC Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-methylsulfonylbenzamide Traditional Name: 4-mesyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide Formula: C22H18N2O3S2 MolecularWeight: 422.51992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C22H18N2O3S2/c1-14-3-12-19-20(13-14)28-22(24-19)16-4-8-17(9-5-16)23-21(25)15-6-10-18(11-7-15)29(2,26)27/h3-13H,1-2H3,(H,23,25)