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

Systemtic Name: O2-tert-butyl O4-methyl 3-ethyl-5-[[(4-sulfamoylphenyl)methylamino]methyl]-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-tert-butyl O4-methyl 3-ethyl-5-[[(4-sulfamoylphenyl)methylamino]methyl]-1H-pyrrole-2,4-dicarboxylate CAS Name: 3-ethyl-5-[[(4-sulfamoylphenyl)methylamino]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-[[(4-sulfamoylphenyl)methylamino]methyl]-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3-ethyl-5-[[(4-sulfamoylbenzyl)amino]methyl]-1H-pyrrole-2,4-dicarboxylic acid O2-tert-butyl ester O4-methyl ester Formula: C21H29N3O6S MolecularWeight: 451.53646

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C(=O)OC)CNCC2=CC=C(C=C2)S(=O)(=O)N)C(=O)OC(C)(C)C

Isomeric SMILES

CCC1=C(NC(=C1C(=O)OC)CNCC2=CC=C(C=C2)S(=O)(=O)N)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H29N3O6S/c1-6-15-17(19(25)29-5)16(24-18(15)20(26)30-21(2,3)4)12-23-11-13-7-9-14(10-8-13)31(22,27)28/h7-10,23-24H,6,11-12H2,1-5H3,(H2,22,27,28)