4-methylsulfanyl-2-[(2-nitro-4-phenyl-phenyl)sulfonylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[(2-nitro-4-phenyl-phenyl)sulfonylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[(2-nitro-4-phenyl-phenyl)sulfonylamino]butanoic acid CAS Name: 4-(methylthio)-2-[(2-nitro-4-phenylphenyl)sulfonylamino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[(2-nitro-4-phenylphenyl)sulfonylamino]butanoic acid Traditional Name: 4-(methylthio)-2-[(2-nitro-4-phenyl-phenyl)sulfonylamino]butyric acid Formula: C17H18N2O6S2 MolecularWeight: 410.46462

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NS(=O)(=O)C1=C(C=C(C=C1)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CSCCC(C(=O)O)NS(=O)(=O)C1=C(C=C(C=C1)C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O6S2/c1-26-10-9-14(17(20)21)18-27(24,25)16-8-7-13(11-15(16)19(22)23)12-5-3-2-4-6-12/h2-8,11,14,18H,9-10H2,1H3,(H,20,21)