ethyl 2-[2-methyl-1-(4-methylsulfonylphenyl)-5-phenyl-pyrrol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-methyl-1-(4-methylsulfonylphenyl)-5-phenyl-pyrrol-3-yl]ethanoate Openeye Name: ethyl 2-[2-methyl-1-(4-methylsulfonylphenyl)-5-phenyl-pyrrol-3-yl]acetate CAS Name: 2-[2-methyl-1-(4-methylsulfonylphenyl)-5-phenyl-3-pyrrolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-methyl-1-(4-methylsulfonylphenyl)-5-phenylpyrrol-3-yl]acetate Traditional Name: 2-[1-(4-mesylphenyl)-2-methyl-5-phenyl-pyrrol-3-yl]acetic acid ethyl ester Formula: C22H23NO4S MolecularWeight: 397.48732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(N(C(=C1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)C)C

Isomeric SMILES

CCOC(=O)CC1=C(N(C(=C1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)C)C

InChI

InChI=1S/C22H23NO4S/c1-4-27-22(24)15-18-14-21(17-8-6-5-7-9-17)23(16(18)2)19-10-12-20(13-11-19)28(3,25)26/h5-14H,4,15H2,1-3H3