1-[4-methyl-1-(phenylsulfonyl)pentyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[4-methyl-1-(phenylsulfonyl)pentyl]piperidine-3-carboxylic acid Openeye Name: 1-[1-(benzenesulfonyl)-4-methyl-pentyl]piperidine-3-carboxylic acid CAS Name: 1-[1-(benzenesulfonyl)-4-methylpentyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-(benzenesulfonyl)-4-methylpentyl]piperidine-3-carboxylic acid Traditional Name: 1-(1-besyl-4-methyl-pentyl)nipecotic acid Formula: C18H27NO4S MolecularWeight: 353.47628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(N1CCCC(C1)C(=O)O)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)CCC(N1CCCC(C1)C(=O)O)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H27NO4S/c1-14(2)10-11-17(19-12-6-7-15(13-19)18(20)21)24(22,23)16-8-4-3-5-9-16/h3-5,8-9,14-15,17H,6-7,10-13H2,1-2H3,(H,20,21)