1-[3-[4-(pyridin-2-ylamino)butoxy]phenyl]sulfonylpiperidine-3-carboxylic acid

Systemtic Name: 1-[3-[4-(pyridin-2-ylamino)butoxy]phenyl]sulfonylpiperidine-3-carboxylic acid Openeye Name: 1-[3-[4-(2-pyridylamino)butoxy]phenyl]sulfonylpiperidine-3-carboxylic acid CAS Name: 1-[3-[4-(2-pyridinylamino)butoxy]phenyl]sulfonyl-3-piperidinecarboxylic acid IUPAC Name: 1-[3-[4-(pyridin-2-ylamino)butoxy]phenyl]sulfonylpiperidine-3-carboxylic acid Traditional Name: 1-[3-[4-(2-pyridylamino)butoxy]phenyl]sulfonylnipecotic acid Formula: C21H27N3O5S MolecularWeight: 433.52118

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)OCCCCNC3=CC=CC=N3)C(=O)O

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)OCCCCNC3=CC=CC=N3)C(=O)O

InChI

InChI=1S/C21H27N3O5S/c25-21(26)17-7-6-13-24(16-17)30(27,28)19-9-5-8-18(15-19)29-14-4-3-12-23-20-10-1-2-11-22-20/h1-2,5,8-11,15,17H,3-4,6-7,12-14,16H2,(H,22,23)(H,25,26)