methyl 1-[4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-[4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-[4-(pyrrolidin-1-ylsulfonylmethyl)benzoyl]piperidine-4-carboxylate CAS Name: 1-[oxo-[4-(1-pyrrolidinylsulfonylmethyl)phenyl]methyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-(pyrrolidin-1-ylsulfonylmethyl)benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-(pyrrolidinosulfonylmethyl)benzoyl]isonipecotic acid methyl ester Formula: C19H26N2O5S MolecularWeight: 394.48514

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)CS(=O)(=O)N3CCCC3

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)CS(=O)(=O)N3CCCC3

InChI

InChI=1S/C19H26N2O5S/c1-26-19(23)17-8-12-20(13-9-17)18(22)16-6-4-15(5-7-16)14-27(24,25)21-10-2-3-11-21/h4-7,17H,2-3,8-14H2,1H3