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

Systemtic Name: N-[[5-[[4-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]-3-oxidanyl-benzamide Openeye Name: N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]butanoylamino]sulfamoyl]-2-thienyl]methyl]-3-hydroxy-benzamide CAS Name: N-[[5-[[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-oxobutyl]amino]sulfamoyl]-2-thiophenyl]methyl]-3-hydroxybenzamide IUPAC Name: N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]-3-hydroxybenzamide Traditional Name: N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]butanoylamino]sulfamoyl]-2-thienyl]methyl]-3-hydroxy-benzamide Formula: C22H21ClF3N5O5S2 MolecularWeight: 592.01085

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)O)C(=O)NCC2=CC=C(S2)S(=O)(=O)NNC(=O)CCCNC3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

C1=CC(=CC(=C1)O)C(=O)NCC2=CC=C(S2)S(=O)(=O)NNC(=O)CCCNC3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C22H21ClF3N5O5S2/c23-17-10-14(22(24,25)26)11-28-20(17)27-8-2-5-18(33)30-31-38(35,36)19-7-6-16(37-19)12-29-21(34)13-3-1-4-15(32)9-13/h1,3-4,6-7,9-11,31-32H,2,5,8,12H2,(H,27,28)(H,29,34)(H,30,33)