methyl 5-[(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonyloxymethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonyloxymethyl]furan-2-carboxylate Openeye Name: methyl 5-[(4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoyl)oxymethyl]furan-2-carboxylate CAS Name: 5-[[[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-oxomethoxy]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(4-chloro-3-pyrrolidin-1-ylsulfonylbenzoyl)oxymethyl]furan-2-carboxylate Traditional Name: 5-[(4-chloro-3-pyrrolidinosulfonyl-benzoyl)oxymethyl]furan-2-carboxylic acid methyl ester Formula: C18H18ClNO7S MolecularWeight: 427.85602

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC(=O)C1=CC=C(O1)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H18ClNO7S/c1-25-18(22)15-7-5-13(27-15)11-26-17(21)12-4-6-14(19)16(10-12)28(23,24)20-8-2-3-9-20/h4-7,10H,2-3,8-9,11H2,1H3