N-[4-[(6-chloranylpyridazin-3-yl)sulfamoyl]phenyl]-2-(phenylmethylsulfanyl)butanamide

Systemtic Name: N-[4-[(6-chloranylpyridazin-3-yl)sulfamoyl]phenyl]-2-(phenylmethylsulfanyl)butanamide Openeye Name: 2-benzylsulfanyl-N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]butanamide CAS Name: N-[4-[(6-chloro-3-pyridazinyl)sulfamoyl]phenyl]-2-(phenylmethylthio)butanamide IUPAC Name: 2-benzylsulfanyl-N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]butanamide Traditional Name: 2-(benzylthio)-N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]butyramide Formula: C21H21ClN4O3S2 MolecularWeight: 476.99944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NN=C(C=C2)Cl)SCC3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NN=C(C=C2)Cl)SCC3=CC=CC=C3

InChI

InChI=1S/C21H21ClN4O3S2/c1-2-18(30-14-15-6-4-3-5-7-15)21(27)23-16-8-10-17(11-9-16)31(28,29)26-20-13-12-19(22)24-25-20/h3-13,18H,2,14H2,1H3,(H,23,27)(H,25,26)