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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=C(C=C3)C

InChI

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