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

Systemtic Name: N-[2-chloranyl-4-(2-methylsulfanylpropanoylamino)phenyl]-3-methylsulfonyl-benzamide Openeye Name: N-[2-chloro-4-(2-methylsulfanylpropanoylamino)phenyl]-3-methylsulfonyl-benzamide CAS Name: N-[2-chloro-4-[[2-(methylthio)-1-oxopropyl]amino]phenyl]-3-methylsulfonylbenzamide IUPAC Name: N-[2-chloro-4-(2-methylsulfanylpropanoylamino)phenyl]-3-methylsulfonylbenzamide Traditional Name: N-[2-chloro-4-[2-(methylthio)propanoylamino]phenyl]-3-mesyl-benzamide Formula: C18H19ClN2O4S2 MolecularWeight: 426.93746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)C)Cl)SC

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)C)Cl)SC

InChI

InChI=1S/C18H19ClN2O4S2/c1-11(26-2)17(22)20-13-7-8-16(15(19)10-13)21-18(23)12-5-4-6-14(9-12)27(3,24)25/h4-11H,1-3H3,(H,20,22)(H,21,23)