1-[3-[(4-fluorophenyl)methoxy]propylsulfonyl]-3-pyrrolidin-1-ylcarbonyl-piperidine-2-carboxylic acid

Systemtic Name: 1-[3-[(4-fluorophenyl)methoxy]propylsulfonyl]-3-pyrrolidin-1-ylcarbonyl-piperidine-2-carboxylic acid Openeye Name: 1-[3-[(4-fluorophenyl)methoxy]propylsulfonyl]-3-(pyrrolidine-1-carbonyl)piperidine-2-carboxylic acid CAS Name: 1-[3-[(4-fluorophenyl)methoxy]propylsulfonyl]-3-[oxo(1-pyrrolidinyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[3-[(4-fluorophenyl)methoxy]propylsulfonyl]-3-(pyrrolidine-1-carbonyl)piperidine-2-carboxylic acid Traditional Name: 1-[3-(4-fluorobenzyl)oxypropylsulfonyl]-3-(pyrrolidine-1-carbonyl)pipecolinic acid Formula: C21H29FN2O6S MolecularWeight: 456.528163

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2CCCN(C2C(=O)O)S(=O)(=O)CCCOCC3=CC=C(C=C3)F

Isomeric SMILES

C1CCN(C1)C(=O)C2CCCN(C2C(=O)O)S(=O)(=O)CCCOCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H29FN2O6S/c22-17-8-6-16(7-9-17)15-30-13-4-14-31(28,29)24-12-3-5-18(19(24)21(26)27)20(25)23-10-1-2-11-23/h6-9,18-19H,1-5,10-15H2,(H,26,27)