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

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: (2-anilino-2-oxo-ethyl) 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 3-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]benzoic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 3-[4-(4-fluorophenyl)piperazino]sulfonylbenzoic acid (2-anilino-2-keto-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)OCC(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC(=O)NC4=CC=CC=C4

InChI

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