ethyl 4-[2-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonyloxyethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonyloxyethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoyl)oxyacetyl]piperazine-1-carboxylate CAS Name: 4-[2-[[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-oxomethoxy]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-chloro-3-pyrrolidin-1-ylsulfonylbenzoyl)oxyacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-(4-chloro-3-pyrrolidinosulfonyl-benzoyl)oxyacetyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H26ClN3O7S MolecularWeight: 487.95434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H26ClN3O7S/c1-2-30-20(27)23-11-9-22(10-12-23)18(25)14-31-19(26)15-5-6-16(21)17(13-15)32(28,29)24-7-3-4-8-24/h5-6,13H,2-4,7-12,14H2,1H3