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

Systemtic Name: ethyl 1-[1-[(3-methylphenyl)methylsulfonyl]piperidin-4-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[1-(m-tolylmethylsulfonyl)piperidine-4-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[1-[(3-methylphenyl)methylsulfonyl]-4-piperidinyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[1-(3-methylbenzyl)sulfonylisonipecotoyl]isonipecotic acid ethyl ester Formula: C22H32N2O5S MolecularWeight: 436.56488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC(=C3)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC(=C3)C

InChI

InChI=1S/C22H32N2O5S/c1-3-29-22(26)20-7-11-23(12-8-20)21(25)19-9-13-24(14-10-19)30(27,28)16-18-6-4-5-17(2)15-18/h4-6,15,19-20H,3,7-14,16H2,1-2H3