3-[[2-(4-methylphenyl)-2-oxidanylidene-ethyl]-(4-nitrophenyl)sulfonyl-amino]propanoic acid

Systemtic Name: 3-[[2-(4-methylphenyl)-2-oxidanylidene-ethyl]-(4-nitrophenyl)sulfonyl-amino]propanoic acid Openeye Name: 3-[(4-nitrophenyl)sulfonyl-[2-oxo-2-(p-tolyl)ethyl]amino]propanoic acid CAS Name: 3-[[2-(4-methylphenyl)-2-oxoethyl]-(4-nitrophenyl)sulfonylamino]propanoic acid IUPAC Name: 3-[[2-(4-methylphenyl)-2-oxoethyl]-(4-nitrophenyl)sulfonylamino]propanoic acid Traditional Name: 3-[[2-keto-2-(p-tolyl)ethyl]-nosyl-amino]propionic acid Formula: C18H18N2O7S MolecularWeight: 406.40972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O7S/c1-13-2-4-14(5-3-13)17(21)12-19(11-10-18(22)23)28(26,27)16-8-6-15(7-9-16)20(24)25/h2-9H,10-12H2,1H3,(H,22,23)