[2-(methylamino)-2-oxidanylidene-ethyl] 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: [2-(methylamino)-2-oxidanylidene-ethyl] 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: [2-(methylamino)-2-oxo-ethyl] 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 3-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]benzoic acid [2-(methylamino)-2-oxoethyl] ester IUPAC Name: [2-(methylamino)-2-oxoethyl] 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 3-[4-(4-fluorophenyl)piperazino]sulfonylbenzoic acid [2-keto-2-(methylamino)ethyl] ester Formula: C20H22FN3O5S MolecularWeight: 435.469183

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

CNC(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H22FN3O5S/c1-22-19(25)14-29-20(26)15-3-2-4-18(13-15)30(27,28)24-11-9-23(10-12-24)17-7-5-16(21)6-8-17/h2-8,13H,9-12,14H2,1H3,(H,22,25)