N,N-dimethyl-3-[[(2-phenylsulfanylpyridin-3-yl)carbonylamino]carbamoyl]benzenesulfonamide

Systemtic Name: N,N-dimethyl-3-[[(2-phenylsulfanylpyridin-3-yl)carbonylamino]carbamoyl]benzenesulfonamide Openeye Name: N,N-dimethyl-3-[[(2-phenylsulfanylpyridine-3-carbonyl)amino]carbamoyl]benzenesulfonamide CAS Name: N,N-dimethyl-3-[oxo-[[oxo-[2-(phenylthio)-3-pyridinyl]methyl]hydrazo]methyl]benzenesulfonamide IUPAC Name: N,N-dimethyl-3-[[(2-phenylsulfanylpyridine-3-carbonyl)amino]carbamoyl]benzenesulfonamide Traditional Name: N,N-dimethyl-3-[[[2-(phenylthio)nicotinoyl]amino]carbamoyl]benzenesulfonamide Formula: C21H20N4O4S2 MolecularWeight: 456.5379

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)NNC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)NNC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C21H20N4O4S2/c1-25(2)31(28,29)17-11-6-8-15(14-17)19(26)23-24-20(27)18-12-7-13-22-21(18)30-16-9-4-3-5-10-16/h3-14H,1-2H3,(H,23,26)(H,24,27)