N-[(2S)-1-[(3-iodanylphenyl)methylamino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-3-(morpholin-4-ylmethyl)-5-oxidanyl-benzamide

Systemtic Name: N-[(2S)-1-[(3-iodanylphenyl)methylamino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-3-(morpholin-4-ylmethyl)-5-oxidanyl-benzamide Openeye Name: 3-hydroxy-N-[(1S)-1-(hydroxymethyl)-2-[(3-iodophenyl)methylamino]-2-oxo-ethyl]-5-(morpholinomethyl)benzamide CAS Name: 3-hydroxy-N-[(2S)-3-hydroxy-1-[(3-iodophenyl)methylamino]-1-oxopropan-2-yl]-5-(4-morpholinylmethyl)benzamide IUPAC Name: 3-hydroxy-N-[(2S)-3-hydroxy-1-[(3-iodophenyl)methylamino]-1-oxopropan-2-yl]-5-(morpholin-4-ylmethyl)benzamide Traditional Name: 3-hydroxy-N-[(1S)-2-[(3-iodobenzyl)amino]-2-keto-1-methylol-ethyl]-5-(morpholinomethyl)benzamide Formula: C22H26IN3O5 MolecularWeight: 539.36341

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=CC(=CC(=C2)C(=O)NC(CO)C(=O)NCC3=CC(=CC=C3)I)O

Isomeric SMILES

C1COCCN1CC2=CC(=CC(=C2)C(=O)N[C@@H](CO)C(=O)NCC3=CC(=CC=C3)I)O

InChI

InChI=1S/C22H26IN3O5/c23-18-3-1-2-15(9-18)12-24-22(30)20(14-27)25-21(29)17-8-16(10-19(28)11-17)13-26-4-6-31-7-5-26/h1-3,8-11,20,27-28H,4-7,12-14H2,(H,24,30)(H,25,29)/t20-/m0/s1