4-bromanyl-N-methyl-N-[(2S)-5-oxidanyl-1-oxidanylidene-1-[oxidanyl(3-phenylpropyl)amino]pentan-2-yl]benzamide

Systemtic Name: 4-bromanyl-N-methyl-N-[(2S)-5-oxidanyl-1-oxidanylidene-1-[oxidanyl(3-phenylpropyl)amino]pentan-2-yl]benzamide Openeye Name: 4-bromo-N-[(1S)-4-hydroxy-1-[hydroxy(3-phenylpropyl)carbamoyl]butyl]-N-methyl-benzamide CAS Name: 4-bromo-N-[(2S)-5-hydroxy-1-[hydroxy(3-phenylpropyl)amino]-1-oxopentan-2-yl]-N-methylbenzamide IUPAC Name: 4-bromo-N-[(2S)-5-hydroxy-1-[hydroxy(3-phenylpropyl)amino]-1-oxopentan-2-yl]-N-methylbenzamide Traditional Name: 4-bromo-N-[(1S)-4-hydroxy-1-[hydroxy(3-phenylpropyl)carbamoyl]butyl]-N-methyl-benzamide Formula: C22H27BrN2O4 MolecularWeight: 463.36478

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CCCO)C(=O)N(CCCC1=CC=CC=C1)O)C(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CN([C@@H](CCCO)C(=O)N(CCCC1=CC=CC=C1)O)C(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C22H27BrN2O4/c1-24(21(27)18-11-13-19(23)14-12-18)20(10-6-16-26)22(28)25(29)15-5-9-17-7-3-2-4-8-17/h2-4,7-8,11-14,20,26,29H,5-6,9-10,15-16H2,1H3/t20-/m0/s1