(4-nitrophenyl)methyl (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-butanoate

Systemtic Name: (4-nitrophenyl)methyl (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-butanoate Openeye Name: (4-nitrophenyl)methyl (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-butanoate CAS Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methylbutanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methylbutanoate Traditional Name: (2S)-2-(brosylamino)-3-methyl-butyric acid (4-nitrobenzyl) ester Formula: C18H19BrN2O6S MolecularWeight: 471.32226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])NS(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])NS(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C18H19BrN2O6S/c1-12(2)17(20-28(25,26)16-9-5-14(19)6-10-16)18(22)27-11-13-3-7-15(8-4-13)21(23)24/h3-10,12,17,20H,11H2,1-2H3/t17-/m0/s1