ethyl 1-[1-(3-phenylpropylsulfonyl)piperidin-3-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[1-(3-phenylpropylsulfonyl)piperidin-3-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[1-(3-phenylpropylsulfonyl)piperidine-3-carbonyl]piperidine-4-carboxylate CAS Name: 1-[oxo-[1-(3-phenylpropylsulfonyl)-3-piperidinyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(3-phenylpropylsulfonyl)piperidine-3-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[1-(3-phenylpropylsulfonyl)nipecotoyl]isonipecotic acid ethyl ester Formula: C23H34N2O5S MolecularWeight: 450.59146

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2CCCN(C2)S(=O)(=O)CCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2CCCN(C2)S(=O)(=O)CCCC3=CC=CC=C3

InChI

InChI=1S/C23H34N2O5S/c1-2-30-23(27)20-12-15-24(16-13-20)22(26)21-11-6-14-25(18-21)31(28,29)17-7-10-19-8-4-3-5-9-19/h3-5,8-9,20-21H,2,6-7,10-18H2,1H3