3-(2-pyridin-4-ylpyrrolidin-1-yl)sulfonylbenzoic acid

Systemtic Name: 3-(2-pyridin-4-ylpyrrolidin-1-yl)sulfonylbenzoic acid Openeye Name: 3-[2-(4-pyridyl)pyrrolidin-1-yl]sulfonylbenzoic acid CAS Name: 3-[(2-pyridin-4-yl-1-pyrrolidinyl)sulfonyl]benzoic acid IUPAC Name: 3-(2-pyridin-4-ylpyrrolidin-1-yl)sulfonylbenzoic acid Traditional Name: 3-[2-(4-pyridyl)pyrrolidino]sulfonylbenzoic acid Formula: C16H16N2O4S MolecularWeight: 332.37424

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)O)C3=CC=NC=C3

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)O)C3=CC=NC=C3

InChI

InChI=1S/C16H16N2O4S/c19-16(20)13-3-1-4-14(11-13)23(21,22)18-10-2-5-15(18)12-6-8-17-9-7-12/h1,3-4,6-9,11,15H,2,5,10H2,(H,19,20)