ethyl 4-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[[5-(tert-butylsulfonylamino)-1-oxopentyl]amino]phenyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H36N4O5S MolecularWeight: 468.61004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)CCCCNS(=O)(=O)C(C)(C)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)CCCCNS(=O)(=O)C(C)(C)C

InChI

InChI=1S/C22H36N4O5S/c1-5-31-21(28)26-16-14-25(15-17-26)19-11-9-18(10-12-19)24-20(27)8-6-7-13-23-32(29,30)22(2,3)4/h9-12,23H,5-8,13-17H2,1-4H3,(H,24,27)