ethyl 1-[1-[(2-methylphenyl)methylsulfonyl]piperidin-4-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[1-[(2-methylphenyl)methylsulfonyl]piperidin-4-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[1-(o-tolylmethylsulfonyl)piperidine-4-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[1-[(2-methylphenyl)methylsulfonyl]-4-piperidinyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[1-(2-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=C3C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3C

InChI

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