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

Systemtic Name: 2-[(4-iodanyl-2-methyl-phenyl)amino]-5-(3-oxidanylpropyl)-4-(pyridin-3-ylmethyl)-3-sulfamoyl-benzamide Openeye Name: 5-(3-hydroxypropyl)-2-(4-iodo-2-methyl-anilino)-4-(3-pyridylmethyl)-3-sulfamoyl-benzamide CAS Name: 5-(3-hydroxypropyl)-2-(4-iodo-2-methylanilino)-4-(3-pyridinylmethyl)-3-sulfamoylbenzamide IUPAC Name: 5-(3-hydroxypropyl)-2-(4-iodo-2-methylanilino)-4-(pyridin-3-ylmethyl)-3-sulfamoylbenzamide Traditional Name: 5-(3-hydroxypropyl)-2-(4-iodo-2-methyl-anilino)-4-(3-pyridylmethyl)-3-sulfamoyl-benzamide Formula: C23H25IN4O4S MolecularWeight: 580.43847

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25IN4O4S/c1-14-10-17(24)6-7-20(14)28-21-19(23(25)30)12-16(5-3-9-29)18(22(21)33(26,31)32)11-15-4-2-8-27-13-15/h2,4,6-8,10,12-13,28-29H,3,5,9,11H2,1H3,(H2,25,30)(H2,26,31,32)