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

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: (2-amino-2-oxo-ethyl) 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 3-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]benzoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 3-[4-(4-fluorophenyl)piperazino]sulfonylbenzoic acid (2-amino-2-keto-ethyl) ester Formula: C19H20FN3O5S MolecularWeight: 421.442603

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC(=O)N

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC(=O)N

InChI

InChI=1S/C19H20FN3O5S/c20-15-4-6-16(7-5-15)22-8-10-23(11-9-22)29(26,27)17-3-1-2-14(12-17)19(25)28-13-18(21)24/h1-7,12H,8-11,13H2,(H2,21,24)