1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(4-phenylsulfanylphenyl)sulfonyl-piperidine-4-carboxylic acid

Systemtic Name: 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(4-phenylsulfanylphenyl)sulfonyl-piperidine-4-carboxylic acid Openeye Name: 1-tert-butoxycarbonyl-4-(4-phenylsulfanylphenyl)sulfonyl-piperidine-4-carboxylic acid CAS Name: 1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-[4-(phenylthio)phenyl]sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(4-phenylsulfanylphenyl)sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-tert-butoxycarbonyl-4-[4-(phenylthio)phenyl]sulfonyl-isonipecotic acid Formula: C23H27NO6S2 MolecularWeight: 477.59358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)SC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)SC3=CC=CC=C3

InChI

InChI=1S/C23H27NO6S2/c1-22(2,3)30-21(27)24-15-13-23(14-16-24,20(25)26)32(28,29)19-11-9-18(10-12-19)31-17-7-5-4-6-8-17/h4-12H,13-16H2,1-3H3,(H,25,26)