3-[(4-methylphenyl)sulfonylamino]-2-(4-nitrophenoxy)propanoic acid

Systemtic Name: 3-[(4-methylphenyl)sulfonylamino]-2-(4-nitrophenoxy)propanoic acid Openeye Name: 2-(4-nitrophenoxy)-3-(p-tolylsulfonylamino)propanoic acid CAS Name: 3-[(4-methylphenyl)sulfonylamino]-2-(4-nitrophenoxy)propanoic acid IUPAC Name: 3-[(4-methylphenyl)sulfonylamino]-2-(4-nitrophenoxy)propanoic acid Traditional Name: 2-(4-nitrophenoxy)-3-(tosylamino)propionic acid Formula: C16H16N2O7S MolecularWeight: 380.37244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC(C(=O)O)OC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC(C(=O)O)OC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O7S/c1-11-2-8-14(9-3-11)26(23,24)17-10-15(16(19)20)25-13-6-4-12(5-7-13)18(21)22/h2-9,15,17H,10H2,1H3,(H,19,20)