(4-bromophenyl)methyl (2S)-3-methyl-2-[(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)amino]butanoate

Systemtic Name: (4-bromophenyl)methyl (2S)-3-methyl-2-[(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)amino]butanoate Openeye Name: (4-bromophenyl)methyl (2S)-3-methyl-2-(4-morpholinosulfonyl-2-nitro-anilino)butanoate CAS Name: (2S)-3-methyl-2-[4-(4-morpholinylsulfonyl)-2-nitroanilino]butanoic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl (2S)-3-methyl-2-(4-morpholin-4-ylsulfonyl-2-nitroanilino)butanoate Traditional Name: (2S)-3-methyl-2-(4-morpholinosulfonyl-2-nitro-anilino)butyric acid (4-bromobenzyl) ester Formula: C22H26BrN3O7S MolecularWeight: 556.42674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=C(C=C1)Br)NC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CC=C(C=C1)Br)NC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H26BrN3O7S/c1-15(2)21(22(27)33-14-16-3-5-17(23)6-4-16)24-19-8-7-18(13-20(19)26(28)29)34(30,31)25-9-11-32-12-10-25/h3-8,13,15,21,24H,9-12,14H2,1-2H3/t21-/m0/s1