ethyl 1-(4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-phenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-(4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-phenyl)carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[4-(1-piperidyl)-3-(1-piperidylsulfonyl)benzoyl]piperidine-4-carboxylate CAS Name: 1-[oxo-[4-(1-piperidinyl)-3-(1-piperidinylsulfonyl)phenyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-piperidino-3-piperidinosulfonyl-benzoyl)isonipecotic acid ethyl ester Formula: C25H37N3O5S MolecularWeight: 491.64338

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=C(C=C2)N3CCCCC3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=C(C=C2)N3CCCCC3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C25H37N3O5S/c1-2-33-25(30)20-11-17-27(18-12-20)24(29)21-9-10-22(26-13-5-3-6-14-26)23(19-21)34(31,32)28-15-7-4-8-16-28/h9-10,19-20H,2-8,11-18H2,1H3