ethyl (2R)-1-[(5-morpholin-4-ylsulfonyl-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]piperidin-1-ium-2-carboxylate

Systemtic Name: ethyl (2R)-1-[(5-morpholin-4-ylsulfonyl-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]piperidin-1-ium-2-carboxylate Openeye Name: ethyl (2R)-1-[(5-morpholinosulfonyl-2-thioxo-1,3-benzoxazol-3-yl)methyl]piperidin-1-ium-2-carboxylate CAS Name: (2R)-1-[[5-(4-morpholinylsulfonyl)-2-sulfanylidene-1,3-benzoxazol-3-yl]methyl]-2-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (2R)-1-[(5-morpholin-4-ylsulfonyl-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]piperidin-1-ium-2-carboxylate Traditional Name: (2R)-1-[(5-morpholinosulfonyl-2-thioxo-1,3-benzoxazol-3-yl)methyl]piperidin-1-ium-2-carboxylic acid ethyl ester Formula: C20H28N3O6S2+ MolecularWeight: 470.58282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCC[NH+]1CN2C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)OC2=S

Isomeric SMILES

CCOC(=O)[C@H]1CCCC[NH+]1CN2C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)OC2=S

InChI

InChI=1S/C20H27N3O6S2/c1-2-28-19(24)16-5-3-4-8-21(16)14-23-17-13-15(6-7-18(17)29-20(23)30)31(25,26)22-9-11-27-12-10-22/h6-7,13,16H,2-5,8-12,14H2,1H3/p+1/t16-/m1/s1