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

Systemtic Name: 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(4-phenoxyphenyl)sulfonyl-piperidine-4-carboxylic acid Openeye Name: 1-tert-butoxycarbonyl-4-(4-phenoxyphenyl)sulfonyl-piperidine-4-carboxylic acid CAS Name: 1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-(4-phenoxyphenyl)sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-tert-butoxycarbonyl-4-(4-phenoxyphenyl)sulfonyl-isonipecotic acid Formula: C23H27NO7S MolecularWeight: 461.52798

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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)OC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C23H27NO7S/c1-22(2,3)31-21(27)24-15-13-23(14-16-24,20(25)26)32(28,29)19-11-9-18(10-12-19)30-17-7-5-4-6-8-17/h4-12H,13-16H2,1-3H3,(H,25,26)