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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22FN3O5S/c1-14(19(22)25)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/h2-8,13-14H,9-12H2,1H3,(H2,22,25)