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

Systemtic Name: 4-[4-(4-chloranylphenoxy)phenyl]sulfonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid Openeye Name: 1-tert-butoxycarbonyl-4-[4-(4-chlorophenoxy)phenyl]sulfonyl-piperidine-4-carboxylic acid CAS Name: 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid Traditional Name: 1-tert-butoxycarbonyl-4-[4-(4-chlorophenoxy)phenyl]sulfonyl-isonipecotic acid Formula: C23H26ClNO7S MolecularWeight: 495.97304

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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=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H26ClNO7S/c1-22(2,3)32-21(28)25-14-12-23(13-15-25,20(26)27)33(29,30)19-10-8-18(9-11-19)31-17-6-4-16(24)5-7-17/h4-11H,12-15H2,1-3H3,(H,26,27)