N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-3-methylsulfonyl-benzamide

Systemtic Name: N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-3-methylsulfonyl-benzamide Openeye Name: N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-3-methylsulfonyl-benzamide CAS Name: N-[4-[(3,4-dimethylphenyl)thio]phenyl]-3-methylsulfonylbenzamide IUPAC Name: N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-3-methylsulfonylbenzamide Traditional Name: N-[4-[(3,4-dimethylphenyl)thio]phenyl]-3-mesyl-benzamide Formula: C22H21NO3S2 MolecularWeight: 411.53704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)C)C

InChI

InChI=1S/C22H21NO3S2/c1-15-7-10-20(13-16(15)2)27-19-11-8-18(9-12-19)23-22(24)17-5-4-6-21(14-17)28(3,25)26/h4-14H,1-3H3,(H,23,24)