ethyl 4-(1-pyridin-3-ylsulfonylpiperidin-4-yl)carbonylthiomorpholine-3-carboxylate

Systemtic Name: ethyl 4-(1-pyridin-3-ylsulfonylpiperidin-4-yl)carbonylthiomorpholine-3-carboxylate Openeye Name: ethyl 4-[1-(3-pyridylsulfonyl)piperidine-4-carbonyl]thiomorpholine-3-carboxylate CAS Name: 4-[oxo-[1-(3-pyridinylsulfonyl)-4-piperidinyl]methyl]-3-thiomorpholinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1-pyridin-3-ylsulfonylpiperidine-4-carbonyl)thiomorpholine-3-carboxylate Traditional Name: 4-[1-(3-pyridylsulfonyl)isonipecotoyl]thiomorpholine-3-carboxylic acid ethyl ester Formula: C18H25N3O5S2 MolecularWeight: 427.5382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CSCCN1C(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

CCOC(=O)C1CSCCN1C(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

InChI

InChI=1S/C18H25N3O5S2/c1-2-26-18(23)16-13-27-11-10-21(16)17(22)14-5-8-20(9-6-14)28(24,25)15-4-3-7-19-12-15/h3-4,7,12,14,16H,2,5-6,8-11,13H2,1H3