3-[[4-[1-(2-bromophenyl)ethylamino]-3-nitro-phenyl]sulfonylamino]propanoic acid

Systemtic Name: 3-[[4-[1-(2-bromophenyl)ethylamino]-3-nitro-phenyl]sulfonylamino]propanoic acid Openeye Name: 3-[[4-[1-(2-bromophenyl)ethylamino]-3-nitro-phenyl]sulfonylamino]propanoic acid CAS Name: 3-[[4-[1-(2-bromophenyl)ethylamino]-3-nitrophenyl]sulfonylamino]propanoic acid IUPAC Name: 3-[[4-[1-(2-bromophenyl)ethylamino]-3-nitrophenyl]sulfonylamino]propanoic acid Traditional Name: 3-[[4-[1-(2-bromophenyl)ethylamino]-3-nitro-phenyl]sulfonylamino]propionic acid Formula: C17H18BrN3O6S MolecularWeight: 472.31032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1Br)NC2=C(C=C(C=C2)S(=O)(=O)NCCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=CC=C1Br)NC2=C(C=C(C=C2)S(=O)(=O)NCCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C17H18BrN3O6S/c1-11(13-4-2-3-5-14(13)18)20-15-7-6-12(10-16(15)21(24)25)28(26,27)19-9-8-17(22)23/h2-7,10-11,19-20H,8-9H2,1H3,(H,22,23)