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

Systemtic Name: ethyl 5-[[(4-methoxyphenyl)methyl-(1-methylimidazol-4-yl)sulfonyl-amino]methyl]-3,4-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 5-[[(4-methoxyphenyl)methyl-(1-methylimidazol-4-yl)sulfonyl-amino]methyl]-3,4-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 5-[[(4-methoxyphenyl)methyl-[(1-methyl-4-imidazolyl)sulfonyl]amino]methyl]-3,4-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[[(4-methoxyphenyl)methyl-(1-methylimidazol-4-yl)sulfonylamino]methyl]-3,4-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 3,4-dimethyl-5-[[(1-methylimidazol-4-yl)sulfonyl-p-anisyl-amino]methyl]-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C22H28N4O5S MolecularWeight: 460.54652

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)CN(CC2=CC=C(C=C2)OC)S(=O)(=O)C3=CN(C=N3)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)CN(CC2=CC=C(C=C2)OC)S(=O)(=O)C3=CN(C=N3)C)C)C

InChI

InChI=1S/C22H28N4O5S/c1-6-31-22(27)21-16(3)15(2)19(24-21)12-26(11-17-7-9-18(30-5)10-8-17)32(28,29)20-13-25(4)14-23-20/h7-10,13-14,24H,6,11-12H2,1-5H3