ethyl 2-[2-acetamido-4,5-dimethyl-3-(4-methylphenyl)sulfonyl-pyrrol-1-yl]ethanoate

Systemtic Name: ethyl 2-[2-acetamido-4,5-dimethyl-3-(4-methylphenyl)sulfonyl-pyrrol-1-yl]ethanoate Openeye Name: ethyl 2-[2-acetamido-4,5-dimethyl-3-(p-tolylsulfonyl)pyrrol-1-yl]acetate CAS Name: 2-[2-acetamido-4,5-dimethyl-3-(4-methylphenyl)sulfonyl-1-pyrrolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-acetamido-4,5-dimethyl-3-(4-methylphenyl)sulfonylpyrrol-1-yl]acetate Traditional Name: 2-(2-acetamido-4,5-dimethyl-3-tosyl-pyrrol-1-yl)acetic acid ethyl ester Formula: C19H24N2O5S MolecularWeight: 392.46926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=C(C(=C1NC(=O)C)S(=O)(=O)C2=CC=C(C=C2)C)C)C

Isomeric SMILES

CCOC(=O)CN1C(=C(C(=C1NC(=O)C)S(=O)(=O)C2=CC=C(C=C2)C)C)C

InChI

InChI=1S/C19H24N2O5S/c1-6-26-17(23)11-21-14(4)13(3)18(19(21)20-15(5)22)27(24,25)16-9-7-12(2)8-10-16/h7-10H,6,11H2,1-5H3,(H,20,22)