4-(2-methoxycarbonylpyrrolidin-1-yl)sulfonylbenzoic acid

Systemtic Name: 4-(2-methoxycarbonylpyrrolidin-1-yl)sulfonylbenzoic acid Openeye Name: 4-(2-methoxycarbonylpyrrolidin-1-yl)sulfonylbenzoic acid CAS Name: 4-[(2-methoxycarbonyl-1-pyrrolidinyl)sulfonyl]benzoic acid IUPAC Name: 4-(2-methoxycarbonylpyrrolidin-1-yl)sulfonylbenzoic acid Traditional Name: 4-(2-carbomethoxypyrrolidino)sulfonylbenzoic acid Formula: C13H15NO6S MolecularWeight: 313.3263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO6S/c1-20-13(17)11-3-2-8-14(11)21(18,19)10-6-4-9(5-7-10)12(15)16/h4-7,11H,2-3,8H2,1H3,(H,15,16)