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

Systemtic Name: N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-2-methylsulfonyl-benzamide Openeye Name: N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-2-methylsulfonyl-benzamide CAS Name: N-[4-[(2,5-dimethylphenyl)thio]phenyl]-2-methylsulfonylbenzamide IUPAC Name: N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-2-methylsulfonylbenzamide Traditional Name: N-[4-[(2,5-dimethylphenyl)thio]phenyl]-2-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=CC=C3S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)SC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3S(=O)(=O)C

InChI

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