N-[[5-[[4-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]-2-nitro-benzamide

Systemtic Name: N-[[5-[[4-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]-2-nitro-benzamide Openeye Name: N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]butanoylamino]sulfamoyl]-2-thienyl]methyl]-2-nitro-benzamide CAS Name: N-[[5-[[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-oxobutyl]amino]sulfamoyl]-2-thiophenyl]methyl]-2-nitrobenzamide IUPAC Name: N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]-2-nitrobenzamide Traditional Name: N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]butanoylamino]sulfamoyl]-2-thienyl]methyl]-2-nitro-benzamide Formula: C22H20ClF3N6O6S2 MolecularWeight: 621.00901

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCC2=CC=C(S2)S(=O)(=O)NNC(=O)CCCNC3=C(C=C(C=N3)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCC2=CC=C(S2)S(=O)(=O)NNC(=O)CCCNC3=C(C=C(C=N3)C(F)(F)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H20ClF3N6O6S2/c23-16-10-13(22(24,25)26)11-28-20(16)27-9-3-6-18(33)30-31-40(37,38)19-8-7-14(39-19)12-29-21(34)15-4-1-2-5-17(15)32(35)36/h1-2,4-5,7-8,10-11,31H,3,6,9,12H2,(H,27,28)(H,29,34)(H,30,33)