2-[[4-[2-(4-nitrophenyl)sulfanylpropanoylamino]phenyl]sulfonylamino]ethanoic acid

Systemtic Name: 2-[[4-[2-(4-nitrophenyl)sulfanylpropanoylamino]phenyl]sulfonylamino]ethanoic acid Openeye Name: 2-[[4-[2-(4-nitrophenyl)sulfanylpropanoylamino]phenyl]sulfonylamino]acetic acid CAS Name: 2-[[4-[[2-[(4-nitrophenyl)thio]-1-oxopropyl]amino]phenyl]sulfonylamino]acetic acid IUPAC Name: 2-[[4-[2-(4-nitrophenyl)sulfanylpropanoylamino]phenyl]sulfonylamino]acetic acid Traditional Name: 2-[[4-[2-[(4-nitrophenyl)thio]propanoylamino]phenyl]sulfonylamino]acetic acid Formula: C17H17N3O7S2 MolecularWeight: 439.46278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC(=O)O)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC(=O)O)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O7S2/c1-11(28-14-6-4-13(5-7-14)20(24)25)17(23)19-12-2-8-15(9-3-12)29(26,27)18-10-16(21)22/h2-9,11,18H,10H2,1H3,(H,19,23)(H,21,22)