methyl 1-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-(4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoyl)piperidine-4-carboxylate CAS Name: 1-[[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-chloro-3-pyrrolidin-1-ylsulfonylbenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-chloro-3-pyrrolidinosulfonyl-benzoyl)isonipecotic acid methyl ester Formula: C18H23ClN2O5S MolecularWeight: 414.90362

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H23ClN2O5S/c1-26-18(23)13-6-10-20(11-7-13)17(22)14-4-5-15(19)16(12-14)27(24,25)21-8-2-3-9-21/h4-5,12-13H,2-3,6-11H2,1H3