N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-4-methylsulfonyl-benzamide

Systemtic Name: N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-4-methylsulfonyl-benzamide Openeye Name: N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-4-methylsulfonyl-benzamide CAS Name: N-[4-[(2,5-dimethylphenyl)thio]phenyl]-4-methylsulfonylbenzamide IUPAC Name: N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-4-methylsulfonylbenzamide Traditional Name: N-[4-[(2,5-dimethylphenyl)thio]phenyl]-4-mesyl-benzamide Formula: C22H21NO3S2 MolecularWeight: 411.53704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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