[1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: [1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: [1-methyl-2-(methylcarbamoylamino)-2-oxo-ethyl] 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 3-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]benzoic acid [1-(methylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 3-[4-(4-fluorophenyl)piperazino]sulfonylbenzoic acid [2-keto-1-methyl-2-(methylcarbamoylamino)ethyl] ester Formula: C22H25FN4O6S MolecularWeight: 492.520503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25FN4O6S/c1-15(20(28)25-22(30)24-2)33-21(29)16-4-3-5-19(14-16)34(31,32)27-12-10-26(11-13-27)18-8-6-17(23)7-9-18/h3-9,14-15H,10-13H2,1-2H3,(H2,24,25,28,30)