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

Systemtic Name: [2-[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 1-sulfamoylpiperidine-4-carboxylate Openeye Name: [2-[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 1-sulfamoylpiperidine-4-carboxylate CAS Name: 1-sulfamoyl-4-piperidinecarboxylic acid [2-[1-(3,4-dimethylphenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 1-sulfamoylpiperidine-4-carboxylate Traditional Name: 1-sulfamoylisonipecotic acid [2-[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C22H29N3O5S MolecularWeight: 447.54776

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O5S/c1-14-5-6-19(11-15(14)2)25-16(3)12-20(17(25)4)21(26)13-30-22(27)18-7-9-24(10-8-18)31(23,28)29/h5-6,11-12,18H,7-10,13H2,1-4H3,(H2,23,28,29)