3-[[4-[(4-methylsulfanyl-3-nitro-phenyl)carbonylamino]phenyl]sulfonylamino]propanoic acid

Systemtic Name: 3-[[4-[(4-methylsulfanyl-3-nitro-phenyl)carbonylamino]phenyl]sulfonylamino]propanoic acid Openeye Name: 3-[[4-[(4-methylsulfanyl-3-nitro-benzoyl)amino]phenyl]sulfonylamino]propanoic acid CAS Name: 3-[[4-[[[4-(methylthio)-3-nitrophenyl]-oxomethyl]amino]phenyl]sulfonylamino]propanoic acid IUPAC Name: 3-[[4-[(4-methylsulfanyl-3-nitrobenzoyl)amino]phenyl]sulfonylamino]propanoic acid Traditional Name: 3-[[4-[[4-(methylthio)-3-nitro-benzoyl]amino]phenyl]sulfonylamino]propionic acid Formula: C17H17N3O7S2 MolecularWeight: 439.46278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCCC(=O)O)[N+](=O)[O-]

InChI

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