2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-[(6-chloranylpyridazin-3-yl)sulfamoyl]phenyl]butanamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-[(6-chloranylpyridazin-3-yl)sulfamoyl]phenyl]butanamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]butanamide CAS Name: 2-(1,3-benzoxazol-2-ylthio)-N-[4-[(6-chloro-3-pyridazinyl)sulfamoyl]phenyl]butanamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]butanamide Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]butyramide Formula: C21H18ClN5O4S2 MolecularWeight: 503.98172

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NN=C(C=C2)Cl)SC3=NC4=CC=CC=C4O3

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NN=C(C=C2)Cl)SC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H18ClN5O4S2/c1-2-17(32-21-24-15-5-3-4-6-16(15)31-21)20(28)23-13-7-9-14(10-8-13)33(29,30)27-19-12-11-18(22)25-26-19/h3-12,17H,2H2,1H3,(H,23,28)(H,26,27)