ethyl 2,4-dimethyl-5-[[(1-methylimidazol-4-yl)sulfonyl-[(4-methylphenyl)methyl]amino]methyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-[[(1-methylimidazol-4-yl)sulfonyl-[(4-methylphenyl)methyl]amino]methyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[[(1-methylimidazol-4-yl)sulfonyl-(p-tolylmethyl)amino]methyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[[(1-methyl-4-imidazolyl)sulfonyl-[(4-methylphenyl)methyl]amino]methyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[[(1-methylimidazol-4-yl)sulfonyl-[(4-methylphenyl)methyl]amino]methyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[[(4-methylbenzyl)-(1-methylimidazol-4-yl)sulfonyl-amino]methyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H28N4O4S MolecularWeight: 444.54712

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)CN(CC2=CC=C(C=C2)C)S(=O)(=O)C3=CN(C=N3)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)CN(CC2=CC=C(C=C2)C)S(=O)(=O)C3=CN(C=N3)C)C

InChI

InChI=1S/C22H28N4O4S/c1-6-30-22(27)21-16(3)19(24-17(21)4)12-26(11-18-9-7-15(2)8-10-18)31(28,29)20-13-25(5)14-23-20/h7-10,13-14,24H,6,11-12H2,1-5H3