3-[(2-aminocarbonylpyrrolidin-1-yl)sulfonylmethyl]benzoic acid

Systemtic Name: 3-[(2-aminocarbonylpyrrolidin-1-yl)sulfonylmethyl]benzoic acid Openeye Name: 3-[(2-carbamoylpyrrolidin-1-yl)sulfonylmethyl]benzoic acid CAS Name: 3-[(2-carbamoyl-1-pyrrolidinyl)sulfonylmethyl]benzoic acid IUPAC Name: 3-[(2-carbamoylpyrrolidin-1-yl)sulfonylmethyl]benzoic acid Traditional Name: 3-[(2-carbamoylpyrrolidino)sulfonylmethyl]benzoic acid Formula: C13H16N2O5S MolecularWeight: 312.34154

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)CC2=CC=CC(=C2)C(=O)O)C(=O)N

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)CC2=CC=CC(=C2)C(=O)O)C(=O)N

InChI

InChI=1S/C13H16N2O5S/c14-12(16)11-5-2-6-15(11)21(19,20)8-9-3-1-4-10(7-9)13(17)18/h1,3-4,7,11H,2,5-6,8H2,(H2,14,16)(H,17,18)