(5-ethanoyl-2-ethoxy-phenyl)methyl 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Openeye Name: (5-acetyl-2-ethoxy-phenyl)methyl 1-(3-pyridylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(3-pyridinylsulfonyl)-4-piperidinecarboxylic acid (5-acetyl-2-ethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-pyridylsulfonyl)isonipecotic acid (5-acetyl-2-ethoxy-benzyl) ester Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

InChI

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