3-[[(2-chloranyl-5-methylsulfanyl-phenyl)carbonylamino]carbamoyl]-N-(phenylmethyl)benzenesulfonamide

Systemtic Name: 3-[[(2-chloranyl-5-methylsulfanyl-phenyl)carbonylamino]carbamoyl]-N-(phenylmethyl)benzenesulfonamide Openeye Name: N-benzyl-3-[[(2-chloro-5-methylsulfanyl-benzoyl)amino]carbamoyl]benzenesulfonamide CAS Name: 3-[[[[2-chloro-5-(methylthio)phenyl]-oxomethyl]hydrazo]-oxomethyl]-N-(phenylmethyl)benzenesulfonamide IUPAC Name: N-benzyl-3-[[(2-chloro-5-methylsulfanylbenzoyl)amino]carbamoyl]benzenesulfonamide Traditional Name: N-benzyl-3-[[[2-chloro-5-(methylthio)benzoyl]amino]carbamoyl]benzenesulfonamide Formula: C22H20ClN3O4S2 MolecularWeight: 489.9949

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)Cl)C(=O)NNC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CC=C3

Isomeric SMILES

CSC1=CC(=C(C=C1)Cl)C(=O)NNC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H20ClN3O4S2/c1-31-17-10-11-20(23)19(13-17)22(28)26-25-21(27)16-8-5-9-18(12-16)32(29,30)24-14-15-6-3-2-4-7-15/h2-13,24H,14H2,1H3,(H,25,27)(H,26,28)