ethyl (3S)-4-[2-oxidanylidene-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]thiomorpholin-4-ium-3-carboxylate

Systemtic Name: ethyl (3S)-4-[2-oxidanylidene-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]thiomorpholin-4-ium-3-carboxylate Openeye Name: ethyl (3S)-4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]thiomorpholin-4-ium-3-carboxylate CAS Name: (3S)-4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-3-thiomorpholin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]thiomorpholin-4-ium-3-carboxylate Traditional Name: (3S)-4-[2-keto-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]thiomorpholin-4-ium-3-carboxylic acid ethyl ester Formula: C17H26N3O5S2+ MolecularWeight: 416.53544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CSCC[NH+]1CC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

CCOC(=O)[C@H]1CSCC[NH+]1CC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C17H25N3O5S2/c1-2-25-17(22)15-12-26-10-9-20(15)11-16(21)19-8-7-13-3-5-14(6-4-13)27(18,23)24/h3-6,15H,2,7-12H2,1H3,(H,19,21)(H2,18,23,24)/p+1/t15-/m1/s1