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

Systemtic Name: (3S)-1-[2-oxidanylidene-2-[(4-sulfamoylphenyl)amino]ethyl]piperidin-1-ium-3-carboxylate Openeye Name: (3S)-1-[2-oxo-2-(4-sulfamoylanilino)ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-oxo-2-(4-sulfamoylanilino)ethyl]-3-piperidin-1-iumcarboxylate IUPAC Name: (3S)-1-[2-oxo-2-(4-sulfamoylanilino)ethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-keto-2-(4-sulfamoylanilino)ethyl]piperidin-1-ium-3-carboxylate Formula: C14H19N3O5S MolecularWeight: 341.38276

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)C(=O)[O-]

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)C(=O)[O-]

InChI

InChI=1S/C14H19N3O5S/c15-23(21,22)12-5-3-11(4-6-12)16-13(18)9-17-7-1-2-10(8-17)14(19)20/h3-6,10H,1-2,7-9H2,(H,16,18)(H,19,20)(H2,15,21,22)/t10-/m0/s1