N-[2-chloranyl-4-[2-(cyanomethylsulfanyl)ethanoylamino]phenyl]-3-methylsulfonyl-benzamide

Systemtic Name: N-[2-chloranyl-4-[2-(cyanomethylsulfanyl)ethanoylamino]phenyl]-3-methylsulfonyl-benzamide Openeye Name: N-[2-chloro-4-[[2-(cyanomethylsulfanyl)acetyl]amino]phenyl]-3-methylsulfonyl-benzamide CAS Name: N-[2-chloro-4-[[2-(cyanomethylthio)-1-oxoethyl]amino]phenyl]-3-methylsulfonylbenzamide IUPAC Name: N-[2-chloro-4-[[2-(cyanomethylsulfanyl)acetyl]amino]phenyl]-3-methylsulfonylbenzamide Traditional Name: N-[2-chloro-4-[[2-(cyanomethylthio)acetyl]amino]phenyl]-3-mesyl-benzamide Formula: C18H16ClN3O4S2 MolecularWeight: 437.92034

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)CSCC#N)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)CSCC#N)Cl

InChI

InChI=1S/C18H16ClN3O4S2/c1-28(25,26)14-4-2-3-12(9-14)18(24)22-16-6-5-13(10-15(16)19)21-17(23)11-27-8-7-20/h2-6,9-10H,8,11H2,1H3,(H,21,23)(H,22,24)