3-[[(2S)-5-(diethylazaniumyl)pentan-2-yl]sulfamoyl]-4,5-dimethyl-benzoate

Systemtic Name: 3-[[(2S)-5-(diethylazaniumyl)pentan-2-yl]sulfamoyl]-4,5-dimethyl-benzoate Openeye Name: 3-[[(1S)-4-(diethylammonio)-1-methyl-butyl]sulfamoyl]-4,5-dimethyl-benzoate CAS Name: 3-[[(2S)-5-(diethylammonio)pentan-2-yl]sulfamoyl]-4,5-dimethylbenzoate IUPAC Name: 3-[[(2S)-5-(diethylazaniumyl)pentan-2-yl]sulfamoyl]-4,5-dimethylbenzoate Traditional Name: 3-[[(1S)-4-(diethylammonio)-1-methyl-butyl]sulfamoyl]-4,5-dimethyl-benzoate Formula: C18H30N2O4S MolecularWeight: 370.5068

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCC(C)NS(=O)(=O)C1=CC(=CC(=C1C)C)C(=O)[O-]

Isomeric SMILES

CC[NH+](CC)CCC[C@H](C)NS(=O)(=O)C1=CC(=CC(=C1C)C)C(=O)[O-]

InChI

InChI=1S/C18H30N2O4S/c1-6-20(7-2)10-8-9-14(4)19-25(23,24)17-12-16(18(21)22)11-13(3)15(17)5/h11-12,14,19H,6-10H2,1-5H3,(H,21,22)/t14-/m0/s1