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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=C(C(=C(C=C2C(=O)N)CCCO)CC3=CC=NC=C3)S(=O)(=O)N)I

Isomeric SMILES

C1=CC(=CC=C1NC2=C(C(=C(C=C2C(=O)N)CCCO)CC3=CC=NC=C3)S(=O)(=O)N)I

InChI

InChI=1S/C22H23IN4O4S/c23-16-3-5-17(6-4-16)27-20-19(22(24)29)13-15(2-1-11-28)18(21(20)32(25,30)31)12-14-7-9-26-10-8-14/h3-10,13,27-28H,1-2,11-12H2,(H2,24,29)(H2,25,30,31)