(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 3-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]benzoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 3-[4-(4-fluorophenyl)piperazino]sulfonylbenzoic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C23H23FN4O5S MolecularWeight: 486.515923

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H23FN4O5S/c1-16(26)21(14-25)22(29)15-33-23(30)17-3-2-4-20(13-17)34(31,32)28-11-9-27(10-12-28)19-7-5-18(24)6-8-19/h2-8,13,21,26H,9-12,15H2,1H3