ethyl 4-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-(4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoyl)piperazine-1-carboxylate CAS Name: 4-[[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chloro-3-pyrrolidin-1-ylsulfonylbenzoyl)piperazine-1-carboxylate Traditional Name: 4-(4-chloro-3-pyrrolidinosulfonyl-benzoyl)piperazine-1-carboxylic acid ethyl ester Formula: C18H24ClN3O5S MolecularWeight: 429.91826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24ClN3O5S/c1-2-27-18(24)21-11-9-20(10-12-21)17(23)14-5-6-15(19)16(13-14)28(25,26)22-7-3-4-8-22/h5-6,13H,2-4,7-12H2,1H3