2-[(4-bromophenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]propanoic acid

Systemtic Name: 2-[(4-bromophenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]propanoic acid Openeye Name: 2-[(4-bromophenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]propanoic acid CAS Name: 2-[(4-bromophenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]propanoic acid IUPAC Name: 2-[(4-bromophenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]propanoic acid Traditional Name: 2-[brosyl-(4-nitrobenzyl)amino]propionic acid Formula: C16H15BrN2O6S MolecularWeight: 443.2691

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N(CC1=CC=C(C=C1)[N+](=O)[O-])S(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C(=O)O)N(CC1=CC=C(C=C1)[N+](=O)[O-])S(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C16H15BrN2O6S/c1-11(16(20)21)18(10-12-2-6-14(7-3-12)19(22)23)26(24,25)15-8-4-13(17)5-9-15/h2-9,11H,10H2,1H3,(H,20,21)