3-(2-methoxycarbonylpyrrolidin-1-yl)sulfonylbenzoic acid

Systemtic Name: 3-(2-methoxycarbonylpyrrolidin-1-yl)sulfonylbenzoic acid Openeye Name: 3-(2-methoxycarbonylpyrrolidin-1-yl)sulfonylbenzoic acid CAS Name: 3-[(2-methoxycarbonyl-1-pyrrolidinyl)sulfonyl]benzoic acid IUPAC Name: 3-(2-methoxycarbonylpyrrolidin-1-yl)sulfonylbenzoic acid Traditional Name: 3-(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(=C2)C(=O)O

Isomeric SMILES

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

InChI

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