ethyl 5-[2-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonyloxyethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[2-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonyloxyethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-(4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoyl)oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-oxomethoxy]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(4-chloro-3-pyrrolidin-1-ylsulfonylbenzoyl)oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-(4-chloro-3-pyrrolidinosulfonyl-benzoyl)oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H25ClN2O7S MolecularWeight: 496.9611

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3)C

InChI

InChI=1S/C22H25ClN2O7S/c1-4-31-22(28)19-13(2)20(24-14(19)3)17(26)12-32-21(27)15-7-8-16(23)18(11-15)33(29,30)25-9-5-6-10-25/h7-8,11,24H,4-6,9-10,12H2,1-3H3