2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfanylbenzoic acid

Systemtic Name: 2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfanylbenzoic acid Openeye Name: 2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfanylbenzoic acid CAS Name: 2-[[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]thio]benzoic acid IUPAC Name: 2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)sulfanylbenzoic acid Traditional Name: 2-[(2-nitro-4-pyrrolidinosulfonyl-phenyl)thio]benzoic acid Formula: C17H16N2O6S2 MolecularWeight: 408.44874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)SC3=CC=CC=C3C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)SC3=CC=CC=C3C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O6S2/c20-17(21)13-5-1-2-6-15(13)26-16-8-7-12(11-14(16)19(22)23)27(24,25)18-9-3-4-10-18/h1-2,5-8,11H,3-4,9-10H2,(H,20,21)