methyl 4-[[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylphenyl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylphenyl]carbonylamino]benzoate Openeye Name: methyl 4-[[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoyl]amino]benzoate CAS Name: 4-[[[3-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoyl]amino]benzoate Traditional Name: 4-[[3-[4-(4-fluorophenyl)piperazino]sulfonylbenzoyl]amino]benzoic acid methyl ester Formula: C25H24FN3O5S MolecularWeight: 497.538563

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H24FN3O5S/c1-34-25(31)18-5-9-21(10-6-18)27-24(30)19-3-2-4-23(17-19)35(32,33)29-15-13-28(14-16-29)22-11-7-20(26)8-12-22/h2-12,17H,13-16H2,1H3,(H,27,30)