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

Systemtic Name: 2-chloranyl-N-[2-(3,4-dimethylphenyl)sulfanylethyl]-5-methylsulfonyl-benzamide Openeye Name: 2-chloro-N-[2-(3,4-dimethylphenyl)sulfanylethyl]-5-methylsulfonyl-benzamide CAS Name: 2-chloro-N-[2-[(3,4-dimethylphenyl)thio]ethyl]-5-methylsulfonylbenzamide IUPAC Name: 2-chloro-N-[2-(3,4-dimethylphenyl)sulfanylethyl]-5-methylsulfonylbenzamide Traditional Name: 2-chloro-N-[2-[(3,4-dimethylphenyl)thio]ethyl]-5-mesyl-benzamide Formula: C18H20ClNO3S2 MolecularWeight: 397.9393

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCNC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCNC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)Cl)C

InChI

InChI=1S/C18H20ClNO3S2/c1-12-4-5-14(10-13(12)2)24-9-8-20-18(21)16-11-15(25(3,22)23)6-7-17(16)19/h4-7,10-11H,8-9H2,1-3H3,(H,20,21)