4-chloranyl-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-methylsulfonyl-benzamide

Systemtic Name: 4-chloranyl-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-methylsulfonyl-benzamide Openeye Name: 4-chloro-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-methylsulfonyl-benzamide CAS Name: 4-chloro-N-[2-[(2-cyanophenyl)methylthio]ethyl]-3-methylsulfonylbenzamide IUPAC Name: 4-chloro-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-methylsulfonylbenzamide Traditional Name: 4-chloro-N-[2-[(2-cyanobenzyl)thio]ethyl]-3-mesyl-benzamide Formula: C18H17ClN2O3S2 MolecularWeight: 408.92218

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)NCCSCC2=CC=CC=C2C#N)Cl

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)NCCSCC2=CC=CC=C2C#N)Cl

InChI

InChI=1S/C18H17ClN2O3S2/c1-26(23,24)17-10-13(6-7-16(17)19)18(22)21-8-9-25-12-15-5-3-2-4-14(15)11-20/h2-7,10H,8-9,12H2,1H3,(H,21,22)