(2-methoxy-2-oxidanylidene-1-phenyl-ethyl) 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (2-methoxy-2-oxidanylidene-1-phenyl-ethyl) 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (2-methoxy-2-oxo-1-phenyl-ethyl) 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-tert-butylphenyl)sulfonyl-4-piperidinecarboxylic acid (2-methoxy-2-oxo-1-phenylethyl) ester IUPAC Name: (2-methoxy-2-oxo-1-phenylethyl) 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-tert-butylphenyl)sulfonylisonipecotic acid (2-keto-2-methoxy-1-phenyl-ethyl) ester Formula: C25H31NO6S MolecularWeight: 473.58174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC(C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC(C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C25H31NO6S/c1-25(2,3)20-10-12-21(13-11-20)33(29,30)26-16-14-19(15-17-26)23(27)32-22(24(28)31-4)18-8-6-5-7-9-18/h5-13,19,22H,14-17H2,1-4H3