ethyl (3S)-1-(4-pyrrolidin-1-ylsulfonylphenyl)carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-(4-pyrrolidin-1-ylsulfonylphenyl)carbonylpiperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(4-pyrrolidin-1-ylsulfonylbenzoyl)piperidine-3-carboxylate CAS Name: (3S)-1-[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(4-pyrrolidin-1-ylsulfonylbenzoyl)piperidine-3-carboxylate Traditional Name: (3S)-1-(4-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=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C19H26N2O5S/c1-2-26-19(23)16-6-5-11-20(14-16)18(22)15-7-9-17(10-8-15)27(24,25)21-12-3-4-13-21/h7-10,16H,2-6,11-14H2,1H3/t16-/m0/s1