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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4S(=O)(=O)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4S(=O)(=O)C

InChI

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