1-[2-[1-(phenylsulfonyl)piperidin-3-yl]ethanoylamino]piperidine-3-carboxylic acid

Systemtic Name: 1-[2-[1-(phenylsulfonyl)piperidin-3-yl]ethanoylamino]piperidine-3-carboxylic acid Openeye Name: 1-[[2-[1-(benzenesulfonyl)-3-piperidyl]acetyl]amino]piperidine-3-carboxylic acid CAS Name: 1-[[2-[1-(benzenesulfonyl)-3-piperidinyl]-1-oxoethyl]amino]-3-piperidinecarboxylic acid IUPAC Name: 1-[[2-[1-(benzenesulfonyl)piperidin-3-yl]acetyl]amino]piperidine-3-carboxylic acid Traditional Name: 1-[[2-(1-besyl-3-piperidyl)acetyl]amino]nipecotic acid Formula: C19H27N3O5S MolecularWeight: 409.49978

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)CC(=O)NN3CCCC(C3)C(=O)O

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)CC(=O)NN3CCCC(C3)C(=O)O

InChI

InChI=1S/C19H27N3O5S/c23-18(20-21-10-5-7-16(14-21)19(24)25)12-15-6-4-11-22(13-15)28(26,27)17-8-2-1-3-9-17/h1-3,8-9,15-16H,4-7,10-14H2,(H,20,23)(H,24,25)