2-[[4-[(5-methylsulfanyl-2-nitro-phenyl)carbonylamino]phenyl]sulfonylamino]ethanoic acid

Systemtic Name: 2-[[4-[(5-methylsulfanyl-2-nitro-phenyl)carbonylamino]phenyl]sulfonylamino]ethanoic acid Openeye Name: 2-[[4-[(5-methylsulfanyl-2-nitro-benzoyl)amino]phenyl]sulfonylamino]acetic acid CAS Name: 2-[[4-[[[5-(methylthio)-2-nitrophenyl]-oxomethyl]amino]phenyl]sulfonylamino]acetic acid IUPAC Name: 2-[[4-[(5-methylsulfanyl-2-nitrobenzoyl)amino]phenyl]sulfonylamino]acetic acid Traditional Name: 2-[[4-[[5-(methylthio)-2-nitro-benzoyl]amino]phenyl]sulfonylamino]acetic acid Formula: C16H15N3O7S2 MolecularWeight: 425.4362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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