(3-fluoranyl-4-methoxy-phenyl)methyl 3-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl 3-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(4-acetyl-1-piperazinyl)sulfonyl]benzoic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-acetylpiperazino)sulfonylbenzoic acid (3-fluoro-4-methoxy-benzyl) ester Formula: C21H23FN2O6S MolecularWeight: 450.480523

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=CC(=C(C=C3)OC)F

Isomeric SMILES

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C21H23FN2O6S/c1-15(25)23-8-10-24(11-9-23)31(27,28)18-5-3-4-17(13-18)21(26)30-14-16-6-7-20(29-2)19(22)12-16/h3-7,12-13H,8-11,14H2,1-2H3