5-[[(2S)-2-(dimethylazaniumyl)-2-phenyl-ethyl]sulfamoyl]-2-oxidanyl-benzoate

Systemtic Name: 5-[[(2S)-2-(dimethylazaniumyl)-2-phenyl-ethyl]sulfamoyl]-2-oxidanyl-benzoate Openeye Name: 5-[[(2S)-2-(dimethylammonio)-2-phenyl-ethyl]sulfamoyl]-2-hydroxy-benzoate CAS Name: 5-[[(2S)-2-(dimethylammonio)-2-phenylethyl]sulfamoyl]-2-hydroxybenzoate IUPAC Name: 5-[[(2S)-2-(dimethylazaniumyl)-2-phenylethyl]sulfamoyl]-2-hydroxybenzoate Traditional Name: 5-[[(2S)-2-(dimethylammonio)-2-phenyl-ethyl]sulfamoyl]-2-hydroxy-benzoate Formula: C17H20N2O5S MolecularWeight: 364.4161

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNS(=O)(=O)C1=CC(=C(C=C1)O)C(=O)[O-])C2=CC=CC=C2

Isomeric SMILES

C[NH+](C)[C@H](CNS(=O)(=O)C1=CC(=C(C=C1)O)C(=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C17H20N2O5S/c1-19(2)15(12-6-4-3-5-7-12)11-18-25(23,24)13-8-9-16(20)14(10-13)17(21)22/h3-10,15,18,20H,11H2,1-2H3,(H,21,22)/t15-/m1/s1