tert-butyl 4-[2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-butanoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-butanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-methylsulfanyl-2-(p-tolylsulfonylamino)butanoyl]piperazine-1-carboxylate CAS Name: 4-[2-[(4-methylphenyl)sulfonylamino]-4-(methylthio)-1-oxobutyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanoyl]piperazine-1-carboxylate Traditional Name: 4-[4-(methylthio)-2-(tosylamino)butanoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H33N3O5S2 MolecularWeight: 471.63382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)N2CCN(CC2)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)N2CCN(CC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H33N3O5S2/c1-16-6-8-17(9-7-16)31(27,28)22-18(10-15-30-5)19(25)23-11-13-24(14-12-23)20(26)29-21(2,3)4/h6-9,18,22H,10-15H2,1-5H3