4-oxidanylidene-3-[(2-phenylsulfanylphenyl)sulfonylamino]butanoic acid

Systemtic Name: 4-oxidanylidene-3-[(2-phenylsulfanylphenyl)sulfonylamino]butanoic acid Openeye Name: 4-oxo-3-[(2-phenylsulfanylphenyl)sulfonylamino]butanoic acid CAS Name: 4-oxo-3-[[2-(phenylthio)phenyl]sulfonylamino]butanoic acid IUPAC Name: 4-oxo-3-[(2-phenylsulfanylphenyl)sulfonylamino]butanoic acid Traditional Name: 4-keto-3-[[2-(phenylthio)phenyl]sulfonylamino]butyric acid Formula: C16H15NO5S2 MolecularWeight: 365.424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=CC=C2S(=O)(=O)NC(CC(=O)O)C=O

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=CC=C2S(=O)(=O)NC(CC(=O)O)C=O

InChI

InChI=1S/C16H15NO5S2/c18-11-12(10-16(19)20)17-24(21,22)15-9-5-4-8-14(15)23-13-6-2-1-3-7-13/h1-9,11-12,17H,10H2,(H,19,20)