1-[[1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]carbamoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[[1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]carbamoyl]piperidine-4-carboxylic acid Openeye Name: 1-[[1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]carbamoyl]piperidine-4-carboxylic acid CAS Name: 1-[[[1-(2-fluorophenyl)sulfonyl-2-pyrrolidinyl]amino]-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[[1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]carbamoyl]piperidine-4-carboxylic acid Traditional Name: 1-[[1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]carbamoyl]isonipecotic acid Formula: C17H22FN3O5S MolecularWeight: 399.437083

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=CC=C2F)NC(=O)N3CCC(CC3)C(=O)O

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC=CC=C2F)NC(=O)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C17H22FN3O5S/c18-13-4-1-2-5-14(13)27(25,26)21-9-3-6-15(21)19-17(24)20-10-7-12(8-11-20)16(22)23/h1-2,4-5,12,15H,3,6-11H2,(H,19,24)(H,22,23)