5-(2-hydroxyethyl)-2-[(4-iodanyl-2-methyl-phenyl)amino]-4-(pyridin-3-ylmethyl)-3-sulfamoyl-benzamide

Systemtic Name: 5-(2-hydroxyethyl)-2-[(4-iodanyl-2-methyl-phenyl)amino]-4-(pyridin-3-ylmethyl)-3-sulfamoyl-benzamide Openeye Name: 5-(2-hydroxyethyl)-2-(4-iodo-2-methyl-anilino)-4-(3-pyridylmethyl)-3-sulfamoyl-benzamide CAS Name: 5-(2-hydroxyethyl)-2-(4-iodo-2-methylanilino)-4-(3-pyridinylmethyl)-3-sulfamoylbenzamide IUPAC Name: 5-(2-hydroxyethyl)-2-(4-iodo-2-methylanilino)-4-(pyridin-3-ylmethyl)-3-sulfamoylbenzamide Traditional Name: 5-(2-hydroxyethyl)-2-(4-iodo-2-methyl-anilino)-4-(3-pyridylmethyl)-3-sulfamoyl-benzamide Formula: C22H23IN4O4S MolecularWeight: 566.41189

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC2=C(C(=C(C=C2C(=O)N)CCO)CC3=CN=CC=C3)S(=O)(=O)N

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC2=C(C(=C(C=C2C(=O)N)CCO)CC3=CN=CC=C3)S(=O)(=O)N

InChI

InChI=1S/C22H23IN4O4S/c1-13-9-16(23)4-5-19(13)27-20-18(22(24)29)11-15(6-8-28)17(21(20)32(25,30)31)10-14-3-2-7-26-12-14/h2-5,7,9,11-12,27-28H,6,8,10H2,1H3,(H2,24,29)(H2,25,30,31)