N-(3-iodanylphenyl)-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxy-ethanamide

Systemtic Name: N-(3-iodanylphenyl)-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxy-ethanamide Openeye Name: N-(3-iodophenyl)-2-(6-morpholinosulfonylbenzotriazol-1-yl)oxy-acetamide CAS Name: N-(3-iodophenyl)-2-[[6-(4-morpholinylsulfonyl)-1-benzotriazolyl]oxy]acetamide IUPAC Name: N-(3-iodophenyl)-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyacetamide Traditional Name: N-(3-iodophenyl)-2-(6-morpholinosulfonylbenzotriazol-1-yl)oxy-acetamide Formula: C18H18IN5O5S MolecularWeight: 543.33549

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)N=NN3OCC(=O)NC4=CC(=CC=C4)I

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)N=NN3OCC(=O)NC4=CC(=CC=C4)I

InChI

InChI=1S/C18H18IN5O5S/c19-13-2-1-3-14(10-13)20-18(25)12-29-24-17-11-15(4-5-16(17)21-22-24)30(26,27)23-6-8-28-9-7-23/h1-5,10-11H,6-9,12H2,(H,20,25)