2-[(4-iodophenyl)amino]-5-(3-oxidanylpropyl)-4-(pyridin-2-ylmethyl)-3-sulfamoyl-benzamide

Systemtic Name: 2-[(4-iodophenyl)amino]-5-(3-oxidanylpropyl)-4-(pyridin-2-ylmethyl)-3-sulfamoyl-benzamide Openeye Name: 5-(3-hydroxypropyl)-2-(4-iodoanilino)-4-(2-pyridylmethyl)-3-sulfamoyl-benzamide CAS Name: 5-(3-hydroxypropyl)-2-(4-iodoanilino)-4-(2-pyridinylmethyl)-3-sulfamoylbenzamide IUPAC Name: 5-(3-hydroxypropyl)-2-(4-iodoanilino)-4-(pyridin-2-ylmethyl)-3-sulfamoylbenzamide Traditional Name: 5-(3-hydroxypropyl)-2-(4-iodoanilino)-4-(2-pyridylmethyl)-3-sulfamoyl-benzamide Formula: C22H23IN4O4S MolecularWeight: 566.41189

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CC2=C(C=C(C(=C2S(=O)(=O)N)NC3=CC=C(C=C3)I)C(=O)N)CCCO

Isomeric SMILES

C1=CC=NC(=C1)CC2=C(C=C(C(=C2S(=O)(=O)N)NC3=CC=C(C=C3)I)C(=O)N)CCCO

InChI

InChI=1S/C22H23IN4O4S/c23-15-6-8-16(9-7-15)27-20-19(22(24)29)12-14(4-3-11-28)18(21(20)32(25,30)31)13-17-5-1-2-10-26-17/h1-2,5-10,12,27-28H,3-4,11,13H2,(H2,24,29)(H2,25,30,31)