ethyl 4-[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[(p-tolylsulfonylamino)methyl]benzoyl]piperazine-1-carboxylate CAS Name: 4-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[[(4-methylphenyl)sulfonylamino]methyl]benzoyl]piperazine-1-carboxylate Traditional Name: 4-[4-[(tosylamino)methyl]benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)CNS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)CNS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H27N3O5S/c1-3-30-22(27)25-14-12-24(13-15-25)21(26)19-8-6-18(7-9-19)16-23-31(28,29)20-10-4-17(2)5-11-20/h4-11,23H,3,12-16H2,1-2H3