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

Systemtic Name: ethyl 4-[2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-butanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[4-methylsulfanyl-2-(p-tolylsulfonylamino)butanoyl]piperazine-1-carboxylate CAS Name: 4-[2-[(4-methylphenyl)sulfonylamino]-4-(methylthio)-1-oxobutyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanoyl]piperazine-1-carboxylate Traditional Name: 4-[4-(methylthio)-2-(tosylamino)butanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H29N3O5S2 MolecularWeight: 443.58066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C(CCSC)NS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C(CCSC)NS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C19H29N3O5S2/c1-4-27-19(24)22-12-10-21(11-13-22)18(23)17(9-14-28-3)20-29(25,26)16-7-5-15(2)6-8-16/h5-8,17,20H,4,9-14H2,1-3H3