2-[(S)-[2-(methylcarbamoyl)phenyl]sulfinyl]-5-nitro-benzoic acid

Systemtic Name: 2-[(S)-[2-(methylcarbamoyl)phenyl]sulfinyl]-5-nitro-benzoic acid Openeye Name: 2-[(S)-[2-(methylcarbamoyl)phenyl]sulfinyl]-5-nitro-benzoic acid CAS Name: 2-[(S)-[2-(methylcarbamoyl)phenyl]sulfinyl]-5-nitrobenzoic acid IUPAC Name: 2-[(S)-[2-(methylcarbamoyl)phenyl]sulfinyl]-5-nitrobenzoic acid Traditional Name: 2-[(S)-[2-(methylcarbamoyl)phenyl]sulfinyl]-5-nitro-benzoic acid Formula: C15H12N2O6S MolecularWeight: 348.33058

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=CC=C1S(=O)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CNC(=O)C1=CC=CC=C1[S@](=O)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C15H12N2O6S/c1-16-14(18)10-4-2-3-5-12(10)24(23)13-7-6-9(17(21)22)8-11(13)15(19)20/h2-8H,1H3,(H,16,18)(H,19,20)/t24-/m0/s1