methyl 5-[(2S)-2-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonyloxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)[C@H](C)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C22H25ClN2O7S/c1-12-18(22(28)31-4)13(2)24-19(12)20(26)14(3)32-21(27)15-7-8-16(23)17(11-15)33(29,30)25-9-5-6-10-25/h7-8,11,14,24H,5-6,9-10H2,1-4H3/t14-/m0/s1