2-[(4-methylsulfonylphenyl)carbonylamino]-5-nitro-benzoic acid

Systemtic Name: 2-[(4-methylsulfonylphenyl)carbonylamino]-5-nitro-benzoic acid Openeye Name: 2-[(4-methylsulfonylbenzoyl)amino]-5-nitro-benzoic acid CAS Name: 2-[[(4-methylsulfonylphenyl)-oxomethyl]amino]-5-nitrobenzoic acid IUPAC Name: 2-[(4-methylsulfonylbenzoyl)amino]-5-nitrobenzoic acid Traditional Name: 2-[(4-mesylbenzoyl)amino]-5-nitro-benzoic acid Formula: C15H12N2O7S MolecularWeight: 364.32998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C15H12N2O7S/c1-25(23,24)11-5-2-9(3-6-11)14(18)16-13-7-4-10(17(21)22)8-12(13)15(19)20/h2-8H,1H3,(H,16,18)(H,19,20)