methyl 4-phenyl-1-(3-piperidin-1-ylsulfonylphenyl)carbonyl-piperidine-4-carboxylate

Systemtic Name: methyl 4-phenyl-1-(3-piperidin-1-ylsulfonylphenyl)carbonyl-piperidine-4-carboxylate Openeye Name: methyl 4-phenyl-1-[3-(1-piperidylsulfonyl)benzoyl]piperidine-4-carboxylate CAS Name: 1-[oxo-[3-(1-piperidinylsulfonyl)phenyl]methyl]-4-phenyl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-phenyl-1-(3-piperidin-1-ylsulfonylbenzoyl)piperidine-4-carboxylate Traditional Name: 4-phenyl-1-(3-piperidinosulfonylbenzoyl)isonipecotic acid methyl ester Formula: C25H30N2O5S MolecularWeight: 470.5811

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O5S/c1-32-24(29)25(21-10-4-2-5-11-21)13-17-26(18-14-25)23(28)20-9-8-12-22(19-20)33(30,31)27-15-6-3-7-16-27/h2,4-5,8-12,19H,3,6-7,13-18H2,1H3