[2-[1-(3-fluoranyl-4-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 1-sulfamoylpiperidine-4-carboxylate

Systemtic Name: [2-[1-(3-fluoranyl-4-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 1-sulfamoylpiperidine-4-carboxylate Openeye Name: [2-[1-(3-fluoro-4-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 1-sulfamoylpiperidine-4-carboxylate CAS Name: 1-sulfamoyl-4-piperidinecarboxylic acid [2-[1-(3-fluoro-4-methylphenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(3-fluoro-4-methylphenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 1-sulfamoylpiperidine-4-carboxylate Traditional Name: 1-sulfamoylisonipecotic acid [2-[1-(3-fluoro-4-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C21H26FN3O5S MolecularWeight: 451.511643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=CC(=C2C)C(=O)COC(=O)C3CCN(CC3)S(=O)(=O)N)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=CC(=C2C)C(=O)COC(=O)C3CCN(CC3)S(=O)(=O)N)C)F

InChI

InChI=1S/C21H26FN3O5S/c1-13-4-5-17(11-19(13)22)25-14(2)10-18(15(25)3)20(26)12-30-21(27)16-6-8-24(9-7-16)31(23,28)29/h4-5,10-11,16H,6-9,12H2,1-3H3,(H2,23,28,29)