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

Systemtic Name: ethyl 4-[1-[(2-methylphenyl)methylsulfonyl]piperidin-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[1-(o-tolylmethylsulfonyl)piperidine-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[1-[(2-methylphenyl)methylsulfonyl]-4-piperidinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-(2-methylbenzyl)sulfonylisonipecotoyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H31N3O5S MolecularWeight: 437.55294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3C

InChI

InChI=1S/C21H31N3O5S/c1-3-29-21(26)23-14-12-22(13-15-23)20(25)18-8-10-24(11-9-18)30(27,28)16-19-7-5-4-6-17(19)2/h4-7,18H,3,8-16H2,1-2H3