ethyl 1-(3-pyrrolidin-1-ylsulfonylphenyl)carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-(3-pyrrolidin-1-ylsulfonylphenyl)carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-(3-pyrrolidin-1-ylsulfonylbenzoyl)piperidine-3-carboxylate CAS Name: 1-[oxo-[3-(1-pyrrolidinylsulfonyl)phenyl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-pyrrolidin-1-ylsulfonylbenzoyl)piperidine-3-carboxylate Traditional Name: 1-(3-pyrrolidinosulfonylbenzoyl)nipecotic acid ethyl ester Formula: C19H26N2O5S MolecularWeight: 394.48514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C19H26N2O5S/c1-2-26-19(23)16-8-6-10-20(14-16)18(22)15-7-5-9-17(13-15)27(24,25)21-11-3-4-12-21/h5,7,9,13,16H,2-4,6,8,10-12,14H2,1H3