2-(2-methoxycarbonylpyrrolidin-1-yl)sulfonylbenzoic acid

Systemtic Name: 2-(2-methoxycarbonylpyrrolidin-1-yl)sulfonylbenzoic acid Openeye Name: 2-(2-methoxycarbonylpyrrolidin-1-yl)sulfonylbenzoic acid CAS Name: 2-[(2-methoxycarbonyl-1-pyrrolidinyl)sulfonyl]benzoic acid IUPAC Name: 2-(2-methoxycarbonylpyrrolidin-1-yl)sulfonylbenzoic acid Traditional Name: 2-(2-carbomethoxypyrrolidino)sulfonylbenzoic acid Formula: C13H15NO6S MolecularWeight: 313.3263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN1S(=O)(=O)C2=CC=CC=C2C(=O)O

Isomeric SMILES

COC(=O)C1CCCN1S(=O)(=O)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C13H15NO6S/c1-20-13(17)10-6-4-8-14(10)21(18,19)11-7-3-2-5-9(11)12(15)16/h2-3,5,7,10H,4,6,8H2,1H3,(H,15,16)