ethyl (3S)-1-[2-oxidanylidene-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-oxidanylidene-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-keto-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C18H28N3O5S+ MolecularWeight: 398.49702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C18H27N3O5S/c1-2-26-18(23)15-4-3-11-21(12-15)13-17(22)20-10-9-14-5-7-16(8-6-14)27(19,24)25/h5-8,15H,2-4,9-13H2,1H3,(H,20,22)(H2,19,24,25)/p+1/t15-/m0/s1