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

Systemtic Name: N-[2-chloranyl-4-[2-(phenylmethylsulfanyl)ethanoylamino]phenyl]-3-methylsulfonyl-benzamide Openeye Name: N-[4-[(2-benzylsulfanylacetyl)amino]-2-chloro-phenyl]-3-methylsulfonyl-benzamide CAS Name: N-[2-chloro-4-[[1-oxo-2-(phenylmethylthio)ethyl]amino]phenyl]-3-methylsulfonylbenzamide IUPAC Name: N-[4-[(2-benzylsulfanylacetyl)amino]-2-chlorophenyl]-3-methylsulfonylbenzamide Traditional Name: N-[4-[[2-(benzylthio)acetyl]amino]-2-chloro-phenyl]-3-mesyl-benzamide Formula: C23H21ClN2O4S2 MolecularWeight: 489.00684

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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)CSCC3=CC=CC=C3)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)CSCC3=CC=CC=C3)Cl

InChI

InChI=1S/C23H21ClN2O4S2/c1-32(29,30)19-9-5-8-17(12-19)23(28)26-21-11-10-18(13-20(21)24)25-22(27)15-31-14-16-6-3-2-4-7-16/h2-13H,14-15H2,1H3,(H,25,27)(H,26,28)