2-[[4-[(4-methylsulfanyl-3-nitro-phenyl)carbonylamino]phenyl]sulfonylamino]ethanoic acid

Systemtic Name: 2-[[4-[(4-methylsulfanyl-3-nitro-phenyl)carbonylamino]phenyl]sulfonylamino]ethanoic acid Openeye Name: 2-[[4-[(4-methylsulfanyl-3-nitro-benzoyl)amino]phenyl]sulfonylamino]acetic acid CAS Name: 2-[[4-[[[4-(methylthio)-3-nitrophenyl]-oxomethyl]amino]phenyl]sulfonylamino]acetic acid IUPAC Name: 2-[[4-[(4-methylsulfanyl-3-nitrobenzoyl)amino]phenyl]sulfonylamino]acetic acid Traditional Name: 2-[[4-[[4-(methylthio)-3-nitro-benzoyl]amino]phenyl]sulfonylamino]acetic acid Formula: C16H15N3O7S2 MolecularWeight: 425.4362

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)NCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O7S2/c1-27-14-7-2-10(8-13(14)19(23)24)16(22)18-11-3-5-12(6-4-11)28(25,26)17-9-15(20)21/h2-8,17H,9H2,1H3,(H,18,22)(H,20,21)