ethyl 2-methyl-5-[4-(1-methylpyrazol-4-yl)phenyl]-1-(3-methylsulfonylphenyl)pyrrole-3-carboxylate

Systemtic Name: ethyl 2-methyl-5-[4-(1-methylpyrazol-4-yl)phenyl]-1-(3-methylsulfonylphenyl)pyrrole-3-carboxylate Openeye Name: ethyl 2-methyl-5-[4-(1-methylpyrazol-4-yl)phenyl]-1-(3-methylsulfonylphenyl)pyrrole-3-carboxylate CAS Name: 2-methyl-5-[4-(1-methyl-4-pyrazolyl)phenyl]-1-(3-methylsulfonylphenyl)-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-5-[4-(1-methylpyrazol-4-yl)phenyl]-1-(3-methylsulfonylphenyl)pyrrole-3-carboxylate Traditional Name: 1-(3-mesylphenyl)-2-methyl-5-[4-(1-methylpyrazol-4-yl)phenyl]pyrrole-3-carboxylic acid ethyl ester Formula: C25H25N3O4S MolecularWeight: 463.5487

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C2=CC=C(C=C2)C3=CN(N=C3)C)C4=CC(=CC=C4)S(=O)(=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C2=CC=C(C=C2)C3=CN(N=C3)C)C4=CC(=CC=C4)S(=O)(=O)C)C

InChI

InChI=1S/C25H25N3O4S/c1-5-32-25(29)23-14-24(19-11-9-18(10-12-19)20-15-26-27(3)16-20)28(17(23)2)21-7-6-8-22(13-21)33(4,30)31/h6-16H,5H2,1-4H3