2-chloranyl-N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-5-methylsulfonyl-benzamide

Systemtic Name: 2-chloranyl-N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-5-methylsulfonyl-benzamide Openeye Name: 2-chloro-N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-5-methylsulfonyl-benzamide CAS Name: 2-chloro-N-[4-[(3,4-dimethylphenyl)thio]phenyl]-5-methylsulfonylbenzamide IUPAC Name: 2-chloro-N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-5-methylsulfonylbenzamide Traditional Name: 2-chloro-N-[4-[(3,4-dimethylphenyl)thio]phenyl]-5-mesyl-benzamide Formula: C22H20ClNO3S2 MolecularWeight: 445.9821

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClNO3S2/c1-14-4-7-18(12-15(14)2)28-17-8-5-16(6-9-17)24-22(25)20-13-19(29(3,26)27)10-11-21(20)23/h4-13H,1-3H3,(H,24,25)