[4-(4-fluorophenyl)-4-oxidanylidene-butyl] 3-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: [4-(4-fluorophenyl)-4-oxidanylidene-butyl] 3-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate Openeye Name: [4-(4-fluorophenyl)-4-oxo-butyl] 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(4-acetyl-1-piperazinyl)sulfonyl]benzoic acid [4-(4-fluorophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-fluorophenyl)-4-oxobutyl] 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-acetylpiperazino)sulfonylbenzoic acid [4-(4-fluorophenyl)-4-keto-butyl] ester Formula: C23H25FN2O6S MolecularWeight: 476.517803

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCCCC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCCCC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H25FN2O6S/c1-17(27)25-11-13-26(14-12-25)33(30,31)21-5-2-4-19(16-21)23(29)32-15-3-6-22(28)18-7-9-20(24)10-8-18/h2,4-5,7-10,16H,3,6,11-15H2,1H3