ethyl (3S)-1-[(3,5-dimethyl-4-morpholin-4-ylsulfonyl-pyrazol-1-yl)methyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(3,5-dimethyl-4-morpholin-4-ylsulfonyl-pyrazol-1-yl)methyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[(3,5-dimethyl-4-morpholinosulfonyl-pyrazol-1-yl)methyl]piperidine-3-carboxylate CAS Name: (3S)-1-[[3,5-dimethyl-4-(4-morpholinylsulfonyl)-1-pyrazolyl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[(3,5-dimethyl-4-morpholinosulfonyl-pyrazol-1-yl)methyl]nipecotic acid ethyl ester Formula: C18H30N4O5S MolecularWeight: 414.5196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CN2C(=C(C(=N2)C)S(=O)(=O)N3CCOCC3)C

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)CN2C(=C(C(=N2)C)S(=O)(=O)N3CCOCC3)C

InChI

InChI=1S/C18H30N4O5S/c1-4-27-18(23)16-6-5-7-20(12-16)13-22-15(3)17(14(2)19-22)28(24,25)21-8-10-26-11-9-21/h16H,4-13H2,1-3H3/t16-/m0/s1