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

Systemtic Name: ethyl 5-[[1,3-benzodioxol-5-ylmethyl-(1-methylimidazol-4-yl)sulfonyl-amino]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[[1,3-benzodioxol-5-ylmethyl-(1-methylimidazol-4-yl)sulfonyl-amino]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[1,3-benzodioxol-5-ylmethyl-[(1-methyl-4-imidazolyl)sulfonyl]amino]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[[1,3-benzodioxol-5-ylmethyl-(1-methylimidazol-4-yl)sulfonylamino]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[[(1-methylimidazol-4-yl)sulfonyl-piperonyl-amino]methyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H26N4O6S MolecularWeight: 474.53004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)CN(CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CN(C=N4)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)CN(CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CN(C=N4)C)C

InChI

InChI=1S/C22H26N4O6S/c1-5-30-22(27)21-14(2)17(24-15(21)3)10-26(33(28,29)20-11-25(4)12-23-20)9-16-6-7-18-19(8-16)32-13-31-18/h6-8,11-12,24H,5,9-10,13H2,1-4H3