3-[[2-(2-hydroxyethyl)pyridin-3-yl]methylsulfamoyl]-2-[(4-iodophenyl)amino]benzamide

Systemtic Name: 3-[[2-(2-hydroxyethyl)pyridin-3-yl]methylsulfamoyl]-2-[(4-iodophenyl)amino]benzamide Openeye Name: 3-[[2-(2-hydroxyethyl)-3-pyridyl]methylsulfamoyl]-2-(4-iodoanilino)benzamide CAS Name: 3-[[2-(2-hydroxyethyl)-3-pyridinyl]methylsulfamoyl]-2-(4-iodoanilino)benzamide IUPAC Name: 3-[[2-(2-hydroxyethyl)pyridin-3-yl]methylsulfamoyl]-2-(4-iodoanilino)benzamide Traditional Name: 3-[[2-(2-hydroxyethyl)-3-pyridyl]methylsulfamoyl]-2-(4-iodoanilino)benzamide Formula: C21H21IN4O4S MolecularWeight: 552.38531

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)S(=O)(=O)NCC2=C(N=CC=C2)CCO)NC3=CC=C(C=C3)I)C(=O)N

Isomeric SMILES

C1=CC(=C(C(=C1)S(=O)(=O)NCC2=C(N=CC=C2)CCO)NC3=CC=C(C=C3)I)C(=O)N

InChI

InChI=1S/C21H21IN4O4S/c22-15-6-8-16(9-7-15)26-20-17(21(23)28)4-1-5-19(20)31(29,30)25-13-14-3-2-11-24-18(14)10-12-27/h1-9,11,25-27H,10,12-13H2,(H2,23,28)