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

Systemtic Name: [2-(naphthalen-1-ylamino)-2-oxidanylidene-ethyl] 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: [2-(1-naphthylamino)-2-oxo-ethyl] 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 3-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]benzoic acid [2-(1-naphthalenylamino)-2-oxoethyl] ester IUPAC Name: [2-(naphthalen-1-ylamino)-2-oxoethyl] 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 3-[4-(4-fluorophenyl)piperazino]sulfonylbenzoic acid [2-keto-2-(1-naphthylamino)ethyl] ester Formula: C29H26FN3O5S MolecularWeight: 547.597243

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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=CC5=CC=CC=C54

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC(=O)NC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C29H26FN3O5S/c30-23-11-13-24(14-12-23)32-15-17-33(18-16-32)39(36,37)25-8-3-7-22(19-25)29(35)38-20-28(34)31-27-10-4-6-21-5-1-2-9-26(21)27/h1-14,19H,15-18,20H2,(H,31,34)