N-[4-methylsulfanyl-1-oxidanylidene-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]butan-2-yl]furan-2-carboxamide

Systemtic Name: N-[4-methylsulfanyl-1-oxidanylidene-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]butan-2-yl]furan-2-carboxamide Openeye Name: N-[3-methylsulfanyl-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carbonyl]propyl]furan-2-carboxamide CAS Name: N-[4-(methylthio)-1-oxo-1-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinyl]butan-2-yl]-2-furancarboxamide IUPAC Name: N-[4-methylsulfanyl-1-oxo-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]butan-2-yl]furan-2-carboxamide Traditional Name: N-[1-(4-mesitylsulfonylpiperazine-1-carbonyl)-3-(methylthio)propyl]-2-furamide Formula: C23H31N3O5S2 MolecularWeight: 493.63934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C(CCSC)NC(=O)C3=CC=CO3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C(CCSC)NC(=O)C3=CC=CO3)C

InChI

InChI=1S/C23H31N3O5S2/c1-16-14-17(2)21(18(3)15-16)33(29,30)26-10-8-25(9-11-26)23(28)19(7-13-32-4)24-22(27)20-6-5-12-31-20/h5-6,12,14-15,19H,7-11,13H2,1-4H3,(H,24,27)