(4-nitrophenyl) 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (4-nitrophenyl) 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (4-nitrophenyl) 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-tert-butylphenyl)sulfonyl-4-piperidinecarboxylic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-tert-butylphenyl)sulfonylisonipecotic acid (4-nitrophenyl) ester Formula: C22H26N2O6S MolecularWeight: 446.51664

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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)OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H26N2O6S/c1-22(2,3)17-4-10-20(11-5-17)31(28,29)23-14-12-16(13-15-23)21(25)30-19-8-6-18(7-9-19)24(26)27/h4-11,16H,12-15H2,1-3H3