O2-tert-butyl O4-methyl 3-ethyl-5-[[2-(4-sulfamoylphenyl)ethylamino]methyl]-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O2-tert-butyl O4-methyl 3-ethyl-5-[[2-(4-sulfamoylphenyl)ethylamino]methyl]-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-tert-butyl O4-methyl 3-ethyl-5-[[2-(4-sulfamoylphenyl)ethylamino]methyl]-1H-pyrrole-2,4-dicarboxylate CAS Name: 3-ethyl-5-[[2-(4-sulfamoylphenyl)ethylamino]methyl]-1H-pyrrole-2,4-dicarboxylic acid O2-tert-butyl ester O4-methyl ester IUPAC Name: 2-O-tert-butyl 4-O-methyl 3-ethyl-5-[[2-(4-sulfamoylphenyl)ethylamino]methyl]-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3-ethyl-5-[[2-(4-sulfamoylphenyl)ethylamino]methyl]-1H-pyrrole-2,4-dicarboxylic acid O2-tert-butyl ester O4-methyl ester Formula: C22H31N3O6S MolecularWeight: 465.56304

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C(=O)OC)CNCCC2=CC=C(C=C2)S(=O)(=O)N)C(=O)OC(C)(C)C

Isomeric SMILES

CCC1=C(NC(=C1C(=O)OC)CNCCC2=CC=C(C=C2)S(=O)(=O)N)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H31N3O6S/c1-6-16-18(20(26)30-5)17(25-19(16)21(27)31-22(2,3)4)13-24-12-11-14-7-9-15(10-8-14)32(23,28)29/h7-10,24-25H,6,11-13H2,1-5H3,(H2,23,28,29)