ethyl 1,3,5-trimethyl-4-[2-[methyl-(4-methylphenyl)sulfonyl-amino]propanoyl]pyrrole-2-carboxylate

Systemtic Name: ethyl 1,3,5-trimethyl-4-[2-[methyl-(4-methylphenyl)sulfonyl-amino]propanoyl]pyrrole-2-carboxylate Openeye Name: ethyl 1,3,5-trimethyl-4-[2-[methyl(p-tolylsulfonyl)amino]propanoyl]pyrrole-2-carboxylate CAS Name: 1,3,5-trimethyl-4-[2-[methyl-(4-methylphenyl)sulfonylamino]-1-oxopropyl]-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1,3,5-trimethyl-4-[2-[methyl-(4-methylphenyl)sulfonylamino]propanoyl]pyrrole-2-carboxylate Traditional Name: 1,3,5-trimethyl-4-[2-[methyl(tosyl)amino]propanoyl]pyrrole-2-carboxylic acid ethyl ester Formula: C21H28N2O5S MolecularWeight: 420.52242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1C)C)C(=O)C(C)N(C)S(=O)(=O)C2=CC=C(C=C2)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1C)C)C(=O)C(C)N(C)S(=O)(=O)C2=CC=C(C=C2)C)C

InChI

InChI=1S/C21H28N2O5S/c1-8-28-21(25)19-14(3)18(15(4)22(19)6)20(24)16(5)23(7)29(26,27)17-11-9-13(2)10-12-17/h9-12,16H,8H2,1-7H3