[2-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [2-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-piperidin-1-ylsulfonylbenzoate Openeye Name: [2-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 4-(1-piperidylsulfonyl)benzoate CAS Name: 4-(1-piperidinylsulfonyl)benzoic acid [2-[1-(4-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-piperidinosulfonylbenzoic acid [2-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C26H27FN2O5S MolecularWeight: 498.566383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)COC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)COC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C26H27FN2O5S/c1-18-16-24(19(2)29(18)22-10-8-21(27)9-11-22)25(30)17-34-26(31)20-6-12-23(13-7-20)35(32,33)28-14-4-3-5-15-28/h6-13,16H,3-5,14-15,17H2,1-2H3