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

Systemtic Name: 2-[2-[4-[methyl-(2-nitrophenyl)sulfonyl-amino]phenoxy]ethanoylamino]propanoic acid Openeye Name: 2-[[2-[4-[methyl-(2-nitrophenyl)sulfonyl-amino]phenoxy]acetyl]amino]propanoic acid CAS Name: 2-[[2-[4-[methyl-(2-nitrophenyl)sulfonylamino]phenoxy]-1-oxoethyl]amino]propanoic acid IUPAC Name: 2-[[2-[4-[methyl-(2-nitrophenyl)sulfonylamino]phenoxy]acetyl]amino]propanoic acid Traditional Name: 2-[[2-[4-[methyl-(2-nitrophenyl)sulfonyl-amino]phenoxy]acetyl]amino]propionic acid Formula: C18H19N3O8S MolecularWeight: 437.42376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)COC1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)O)NC(=O)COC1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O8S/c1-12(18(23)24)19-17(22)11-29-14-9-7-13(8-10-14)20(2)30(27,28)16-6-4-3-5-15(16)21(25)26/h3-10,12H,11H2,1-2H3,(H,19,22)(H,23,24)