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

Systemtic Name: N-[(2S)-1-[(3-iodanylphenyl)methylamino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-2-oxidanyl-5-pyrrol-1-yl-benzamide Openeye Name: 2-hydroxy-N-[(1S)-1-(hydroxymethyl)-2-[(3-iodophenyl)methylamino]-2-oxo-ethyl]-5-pyrrol-1-yl-benzamide CAS Name: 2-hydroxy-N-[(2S)-3-hydroxy-1-[(3-iodophenyl)methylamino]-1-oxopropan-2-yl]-5-(1-pyrrolyl)benzamide IUPAC Name: 2-hydroxy-N-[(2S)-3-hydroxy-1-[(3-iodophenyl)methylamino]-1-oxopropan-2-yl]-5-pyrrol-1-ylbenzamide Traditional Name: 2-hydroxy-N-[(1S)-2-[(3-iodobenzyl)amino]-2-keto-1-methylol-ethyl]-5-pyrrol-1-yl-benzamide Formula: C21H20IN3O4 MolecularWeight: 505.30567

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)C2=CC(=C(C=C2)O)C(=O)NC(CO)C(=O)NCC3=CC(=CC=C3)I

Isomeric SMILES

C1=CN(C=C1)C2=CC(=C(C=C2)O)C(=O)N[C@@H](CO)C(=O)NCC3=CC(=CC=C3)I

InChI

InChI=1S/C21H20IN3O4/c22-15-5-3-4-14(10-15)12-23-21(29)18(13-26)24-20(28)17-11-16(6-7-19(17)27)25-8-1-2-9-25/h1-11,18,26-27H,12-13H2,(H,23,29)(H,24,28)/t18-/m0/s1