ethyl (3S)-1-(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)carbonylpiperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(2-methyl-5-morpholinosulfonyl-benzoyl)piperidine-3-carboxylate CAS Name: (3S)-1-[[2-methyl-5-(4-morpholinylsulfonyl)phenyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)piperidine-3-carboxylate Traditional Name: (3S)-1-(2-methyl-5-morpholinosulfonyl-benzoyl)nipecotic acid ethyl ester Formula: C20H28N2O6S MolecularWeight: 424.51112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O6S/c1-3-28-20(24)16-5-4-8-21(14-16)19(23)18-13-17(7-6-15(18)2)29(25,26)22-9-11-27-12-10-22/h6-7,13,16H,3-5,8-12,14H2,1-2H3/t16-/m0/s1