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

Systemtic Name: 5-[3-(diethylamino)propyl]-2-[(4-iodanyl-2-methyl-phenyl)amino]-4-(pyridin-3-ylmethyl)-3-sulfamoyl-benzamide Openeye Name: 5-[3-(diethylamino)propyl]-2-(4-iodo-2-methyl-anilino)-4-(3-pyridylmethyl)-3-sulfamoyl-benzamide CAS Name: 5-[3-(diethylamino)propyl]-2-(4-iodo-2-methylanilino)-4-(3-pyridinylmethyl)-3-sulfamoylbenzamide IUPAC Name: 5-[3-(diethylamino)propyl]-2-(4-iodo-2-methylanilino)-4-(pyridin-3-ylmethyl)-3-sulfamoylbenzamide Traditional Name: 5-[3-(diethylamino)propyl]-2-(4-iodo-2-methyl-anilino)-4-(3-pyridylmethyl)-3-sulfamoyl-benzamide Formula: C27H34IN5O3S MolecularWeight: 635.56003

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCC1=C(C(=C(C(=C1)C(=O)N)NC2=C(C=C(C=C2)I)C)S(=O)(=O)N)CC3=CN=CC=C3

Isomeric SMILES

CCN(CC)CCCC1=C(C(=C(C(=C1)C(=O)N)NC2=C(C=C(C=C2)I)C)S(=O)(=O)N)CC3=CN=CC=C3

InChI

InChI=1S/C27H34IN5O3S/c1-4-33(5-2)13-7-9-20-16-23(27(29)34)25(32-24-11-10-21(28)14-18(24)3)26(37(30,35)36)22(20)15-19-8-6-12-31-17-19/h6,8,10-12,14,16-17,32H,4-5,7,9,13,15H2,1-3H3,(H2,29,34)(H2,30,35,36)