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

Systemtic Name: (2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: (2-amino-2-oxo-1-phenyl-ethyl) 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 3-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]benzoic acid (2-amino-2-oxo-1-phenylethyl) ester IUPAC Name: (2-amino-2-oxo-1-phenylethyl) 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 3-[4-(4-fluorophenyl)piperazino]sulfonylbenzoic acid (2-amino-2-keto-1-phenyl-ethyl) ester Formula: C25H24FN3O5S MolecularWeight: 497.538563

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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)OC(C4=CC=CC=C4)C(=O)N

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC(=C3)C(=O)OC(C4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C25H24FN3O5S/c26-20-9-11-21(12-10-20)28-13-15-29(16-14-28)35(32,33)22-8-4-7-19(17-22)25(31)34-23(24(27)30)18-5-2-1-3-6-18/h1-12,17,23H,13-16H2,(H2,27,30)