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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)S(=O)(=O)C2=CC=CC(=C2)OCCCCNC3=CC=CC=N3

Isomeric SMILES

C1CN(CCC1C(=O)O)S(=O)(=O)C2=CC=CC(=C2)OCCCCNC3=CC=CC=N3

InChI

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