2-azanyl-4-[3,5-diacetamido-2,4,6-tris(iodanyl)phenyl]-N-[6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]benzamide

Systemtic Name: 2-azanyl-4-[3,5-diacetamido-2,4,6-tris(iodanyl)phenyl]-N-[6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]benzamide Openeye Name: 2-amino-4-(3,5-diacetamido-2,4,6-triiodo-phenyl)-N-[2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]benzamide CAS Name: 2-amino-4-(3,5-diacetamido-2,4,6-triiodophenyl)-N-[2,4,5-trihydroxy-6-(hydroxymethyl)-3-oxanyl]benzamide IUPAC Name: 2-amino-4-(3,5-diacetamido-2,4,6-triiodophenyl)-N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]benzamide Traditional Name: 2-amino-4-(3,5-diacetamido-2,4,6-triiodo-phenyl)-N-(2,4,5-trihydroxy-6-methylol-tetrahydropyran-3-yl)benzamide Formula: C23H25I3N4O8 MolecularWeight: 866.18001

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=C(C(=C1I)C2=CC(=C(C=C2)C(=O)NC3C(C(C(OC3O)CO)O)O)N)I)NC(=O)C)I

Isomeric SMILES

CC(=O)NC1=C(C(=C(C(=C1I)C2=CC(=C(C=C2)C(=O)NC3C(C(C(OC3O)CO)O)O)N)I)NC(=O)C)I

InChI

InChI=1S/C23H25I3N4O8/c1-7(32)28-17-14(24)13(15(25)18(16(17)26)29-8(2)33)9-3-4-10(11(27)5-9)22(36)30-19-21(35)20(34)12(6-31)38-23(19)37/h3-5,12,19-21,23,31,34-35,37H,6,27H2,1-2H3,(H,28,32)(H,29,33)(H,30,36)