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

Systemtic Name: ethyl (3S)-1-(3-morpholin-4-ylsulfonylphenyl)carbonylpiperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(3-morpholinosulfonylbenzoyl)piperidine-3-carboxylate CAS Name: (3S)-1-[[3-(4-morpholinylsulfonyl)phenyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(3-morpholin-4-ylsulfonylbenzoyl)piperidine-3-carboxylate Traditional Name: (3S)-1-(3-morpholinosulfonylbenzoyl)nipecotic acid ethyl ester Formula: C19H26N2O6S MolecularWeight: 410.48454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C19H26N2O6S/c1-2-27-19(23)16-6-4-8-20(14-16)18(22)15-5-3-7-17(13-15)28(24,25)21-9-11-26-12-10-21/h3,5,7,13,16H,2,4,6,8-12,14H2,1H3/t16-/m0/s1