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

Systemtic Name: ethyl 5-[[(4-methoxyphenyl)methyl-(4-methylphenyl)sulfonyl-amino]methyl]-3,4-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 5-[[(4-methoxyphenyl)methyl-(p-tolylsulfonyl)amino]methyl]-3,4-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 5-[[(4-methoxyphenyl)methyl-(4-methylphenyl)sulfonylamino]methyl]-3,4-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[[(4-methoxyphenyl)methyl-(4-methylphenyl)sulfonylamino]methyl]-3,4-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 3,4-dimethyl-5-[[p-anisyl(tosyl)amino]methyl]-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C25H30N2O5S MolecularWeight: 470.5811

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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=CC=C(C=C3)C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O5S/c1-6-32-25(28)24-19(4)18(3)23(26-24)16-27(15-20-9-11-21(31-5)12-10-20)33(29,30)22-13-7-17(2)8-14-22/h7-14,26H,6,15-16H2,1-5H3