methyl 4-phenyl-1-[2-(4-piperidin-1-ylsulfonylphenyl)ethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 4-phenyl-1-[2-(4-piperidin-1-ylsulfonylphenyl)ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 4-phenyl-1-[2-[4-(1-piperidylsulfonyl)phenyl]acetyl]piperidine-4-carboxylate CAS Name: 1-[1-oxo-2-[4-(1-piperidinylsulfonyl)phenyl]ethyl]-4-phenyl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-phenyl-1-[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]piperidine-4-carboxylate Traditional Name: 4-phenyl-1-[2-(4-piperidinosulfonylphenyl)acetyl]isonipecotic acid methyl ester Formula: C26H32N2O5S MolecularWeight: 484.60768

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCN(CC1)C(=O)CC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1(CCN(CC1)C(=O)CC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C26H32N2O5S/c1-33-25(30)26(22-8-4-2-5-9-22)14-18-27(19-15-26)24(29)20-21-10-12-23(13-11-21)34(31,32)28-16-6-3-7-17-28/h2,4-5,8-13H,3,6-7,14-20H2,1H3