methyl 2-[[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylphenyl]carbonylamino]-2-methyl-propanoate

Systemtic Name: methyl 2-[[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylphenyl]carbonylamino]-2-methyl-propanoate Openeye Name: methyl 2-[[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoyl]amino]-2-methyl-propanoate CAS Name: 2-[[[3-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]phenyl]-oxomethyl]amino]-2-methylpropanoic acid methyl ester IUPAC Name: methyl 2-[[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoyl]amino]-2-methylpropanoate Traditional Name: 2-[[3-[4-(4-fluorophenyl)piperazino]sulfonylbenzoyl]amino]-2-methyl-propionic acid methyl ester Formula: C22H26FN3O5S MolecularWeight: 463.522343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OC)NC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C(=O)OC)NC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H26FN3O5S/c1-22(2,21(28)31-3)24-20(27)16-5-4-6-19(15-16)32(29,30)26-13-11-25(12-14-26)18-9-7-17(23)8-10-18/h4-10,15H,11-14H2,1-3H3,(H,24,27)