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

Systemtic Name: ethyl 4-[[furan-2-ylmethyl-(4-methylphenyl)sulfonyl-amino]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-[[2-furylmethyl(p-tolylsulfonyl)amino]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[[2-furanylmethyl-(4-methylphenyl)sulfonylamino]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[[2-furfuryl(tosyl)amino]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C22H26N2O5S MolecularWeight: 430.51724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)CN(CC2=CC=CO2)S(=O)(=O)C3=CC=C(C=C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)CN(CC2=CC=CO2)S(=O)(=O)C3=CC=C(C=C3)C)C

InChI

InChI=1S/C22H26N2O5S/c1-5-28-22(25)21-16(3)20(17(4)23-21)14-24(13-18-7-6-12-29-18)30(26,27)19-10-8-15(2)9-11-19/h6-12,23H,5,13-14H2,1-4H3