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

Systemtic Name: ethyl 2-[2-acetamido-3-(4-chlorophenyl)sulfonyl-4,5-dimethyl-pyrrol-1-yl]ethanoate Openeye Name: ethyl 2-[2-acetamido-3-(4-chlorophenyl)sulfonyl-4,5-dimethyl-pyrrol-1-yl]acetate CAS Name: 2-[2-acetamido-3-(4-chlorophenyl)sulfonyl-4,5-dimethyl-1-pyrrolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-acetamido-3-(4-chlorophenyl)sulfonyl-4,5-dimethylpyrrol-1-yl]acetate Traditional Name: 2-[2-acetamido-3-(4-chlorophenyl)sulfonyl-4,5-dimethyl-pyrrol-1-yl]acetic acid ethyl ester Formula: C18H21ClN2O5S MolecularWeight: 412.88774

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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)Cl)C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN2O5S/c1-5-26-16(23)10-21-12(3)11(2)17(18(21)20-13(4)22)27(24,25)15-8-6-14(19)7-9-15/h6-9H,5,10H2,1-4H3,(H,20,22)