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

Systemtic Name: ethyl (3S)-1-[(2S)-1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(1S)-1-methyl-2-oxo-2-(4-sulfamoylanilino)ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(1S)-2-keto-1-methyl-2-(4-sulfamoylanilino)ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C17H26N3O5S+ MolecularWeight: 384.47044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)C(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)[C@@H](C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C17H25N3O5S/c1-3-25-17(22)13-5-4-10-20(11-13)12(2)16(21)19-14-6-8-15(9-7-14)26(18,23)24/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,19,21)(H2,18,23,24)/p+1/t12-,13-/m0/s1