methyl 2-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-4,5-dimethoxy-phenyl]ethanoate

Systemtic Name: methyl 2-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-4,5-dimethoxy-phenyl]ethanoate Openeye Name: methyl 2-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-4,5-dimethoxy-phenyl]acetate CAS Name: 2-[2-[[4-(2-fluorophenyl)-1-piperazinyl]sulfonyl]-4,5-dimethoxyphenyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-4,5-dimethoxyphenyl]acetate Traditional Name: 2-[2-[4-(2-fluorophenyl)piperazino]sulfonyl-4,5-dimethoxy-phenyl]acetic acid methyl ester Formula: C21H25FN2O6S MolecularWeight: 452.496403

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CC(=O)OC)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3F)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CC(=O)OC)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3F)OC

InChI

InChI=1S/C21H25FN2O6S/c1-28-18-12-15(13-21(25)30-3)20(14-19(18)29-2)31(26,27)24-10-8-23(9-11-24)17-7-5-4-6-16(17)22/h4-7,12,14H,8-11,13H2,1-3H3