2-bromanyl-N1,N3-bis[(2S)-3,3-dimethyl-1-oxidanyl-butan-2-yl]benzene-1,3-dicarboxamide

Systemtic Name: 2-bromanyl-N1,N3-bis[(2S)-3,3-dimethyl-1-oxidanyl-butan-2-yl]benzene-1,3-dicarboxamide Openeye Name: 2-bromo-N1,N3-bis[(1S)-1-(hydroxymethyl)-2,2-dimethyl-propyl]benzene-1,3-dicarboxamide CAS Name: 2-bromo-N1,N3-bis[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]benzene-1,3-dicarboxamide IUPAC Name: 2-bromo-1-N,3-N-bis[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]benzene-1,3-dicarboxamide Traditional Name: 2-bromo-N,N'-bis[(1S)-2,2-dimethyl-1-methylol-propyl]isophthalamide Formula: C20H31BrN2O4 MolecularWeight: 443.37514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CO)NC(=O)C1=C(C(=CC=C1)C(=O)NC(CO)C(C)(C)C)Br

Isomeric SMILES

CC(C)(C)[C@@H](CO)NC(=O)C1=C(C(=CC=C1)C(=O)N[C@H](CO)C(C)(C)C)Br

InChI

InChI=1S/C20H31BrN2O4/c1-19(2,3)14(10-24)22-17(26)12-8-7-9-13(16(12)21)18(27)23-15(11-25)20(4,5)6/h7-9,14-15,24-25H,10-11H2,1-6H3,(H,22,26)(H,23,27)/t14-,15-/m1/s1