(2-nitrophenyl)methyl 1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (2-nitrophenyl)methyl 1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (2-nitrophenyl)methyl 1-(4-isopropylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-propan-2-ylphenyl)sulfonyl-4-piperidinecarboxylic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-p-cumenylsulfonylisonipecotic acid (2-nitrobenzyl) ester Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C22H26N2O6S/c1-16(2)17-7-9-20(10-8-17)31(28,29)23-13-11-18(12-14-23)22(25)30-15-19-5-3-4-6-21(19)24(26)27/h3-10,16,18H,11-15H2,1-2H3