1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(phenylmethyl)sulfonyl-piperidine-3-carboxylic acid

Systemtic Name: 1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(phenylmethyl)sulfonyl-piperidine-3-carboxylic acid Openeye Name: 3-benzylsulfonyl-1-tert-butoxycarbonyl-piperidine-3-carboxylic acid CAS Name: 1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-(phenylmethyl)sulfonyl-3-piperidinecarboxylic acid IUPAC Name: 3-benzylsulfonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid Traditional Name: 3-benzylsulfonyl-1-tert-butoxycarbonyl-nipecotic acid Formula: C18H25NO6S MolecularWeight: 383.4592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)(C(=O)O)S(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)(C(=O)O)S(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C18H25NO6S/c1-17(2,3)25-16(22)19-11-7-10-18(13-19,15(20)21)26(23,24)12-14-8-5-4-6-9-14/h4-6,8-9H,7,10-13H2,1-3H3,(H,20,21)