(2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-[(5-nitro-2-oxidanyl-phenyl)methyl]butanamide

Systemtic Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-[(5-nitro-2-oxidanyl-phenyl)methyl]butanamide Openeye Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-N-[(2-hydroxy-5-nitro-phenyl)methyl]-3-methyl-butanamide CAS Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-N-[(2-hydroxy-5-nitrophenyl)methyl]-3-methylbutanamide IUPAC Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-N-[(2-hydroxy-5-nitrophenyl)methyl]-3-methylbutanamide Traditional Name: (2S)-2-(brosylamino)-N-(2-hydroxy-5-nitro-benzyl)-3-methyl-butyramide Formula: C18H20BrN3O6S MolecularWeight: 486.3369

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=C(C=CC(=C1)[N+](=O)[O-])O)NS(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC1=C(C=CC(=C1)[N+](=O)[O-])O)NS(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C18H20BrN3O6S/c1-11(2)17(21-29(27,28)15-6-3-13(19)4-7-15)18(24)20-10-12-9-14(22(25)26)5-8-16(12)23/h3-9,11,17,21,23H,10H2,1-2H3,(H,20,24)/t17-/m0/s1