2-[(4-carbamimidoylphenyl)amino]-2-(7-iodanyl-3-methyl-1-benzofuran-5-yl)-N-sulfamoyl-ethanamide

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-(7-iodanyl-3-methyl-1-benzofuran-5-yl)-N-sulfamoyl-ethanamide Openeye Name: 2-(4-carbamimidoylanilino)-2-(7-iodo-3-methyl-benzofuran-5-yl)-N-sulfamoyl-acetamide CAS Name: 2-(4-carbamimidoylanilino)-2-(7-iodo-3-methyl-5-benzofuranyl)-N-sulfamoylacetamide IUPAC Name: 2-(4-carbamimidoylanilino)-2-(7-iodo-3-methyl-1-benzofuran-5-yl)-N-sulfamoylacetamide Traditional Name: 2-(4-amidinoanilino)-2-(7-iodo-3-methyl-benzofuran-5-yl)-N-sulfamoyl-acetamide Formula: C18H18IN5O4S MolecularWeight: 527.33609

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Descriptors Computed from Structure

Canonical SMILES:

CC1=COC2=C(C=C(C=C12)C(C(=O)NS(=O)(=O)N)NC3=CC=C(C=C3)C(=N)N)I

Isomeric SMILES

CC1=COC2=C(C=C(C=C12)C(C(=O)NS(=O)(=O)N)NC3=CC=C(C=C3)C(=N)N)I

InChI

InChI=1S/C18H18IN5O4S/c1-9-8-28-16-13(9)6-11(7-14(16)19)15(18(25)24-29(22,26)27)23-12-4-2-10(3-5-12)17(20)21/h2-8,15,23H,1H3,(H3,20,21)(H,24,25)(H2,22,26,27)