2-oxidanyl-4-[2-(4-phenylphenyl)sulfonyloxyethanoylamino]benzoic acid

Systemtic Name: 2-oxidanyl-4-[2-(4-phenylphenyl)sulfonyloxyethanoylamino]benzoic acid Openeye Name: 2-hydroxy-4-[[2-(4-phenylphenyl)sulfonyloxyacetyl]amino]benzoic acid CAS Name: 2-hydroxy-4-[[1-oxo-2-(4-phenylphenyl)sulfonyloxyethyl]amino]benzoic acid IUPAC Name: 2-hydroxy-4-[[2-(4-phenylphenyl)sulfonyloxyacetyl]amino]benzoic acid Traditional Name: 2-hydroxy-4-[[2-(4-phenylphenyl)sulfonyloxyacetyl]amino]benzoic acid Formula: C21H17NO7S MolecularWeight: 427.42718

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)OCC(=O)NC3=CC(=C(C=C3)C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)OCC(=O)NC3=CC(=C(C=C3)C(=O)O)O

InChI

InChI=1S/C21H17NO7S/c23-19-12-16(8-11-18(19)21(25)26)22-20(24)13-29-30(27,28)17-9-6-15(7-10-17)14-4-2-1-3-5-14/h1-12,23H,13H2,(H,22,24)(H,25,26)