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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3

InChI

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