[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 3-(furan-2-yl)propanoate

Systemtic Name: [2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 3-(furan-2-yl)propanoate Openeye Name: [2-oxo-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl] 3-(2-furyl)propanoate CAS Name: 3-(2-furanyl)propanoic acid [2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 3-(furan-2-yl)propanoate Traditional Name: 3-(2-furyl)propionic acid [2-keto-2-(4-tosylpiperazino)ethyl] ester Formula: C20H24N2O6S MolecularWeight: 420.47936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)CCC3=CC=CO3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)CCC3=CC=CO3

InChI

InChI=1S/C20H24N2O6S/c1-16-4-7-18(8-5-16)29(25,26)22-12-10-21(11-13-22)19(23)15-28-20(24)9-6-17-3-2-14-27-17/h2-5,7-8,14H,6,9-13,15H2,1H3