pentan-3-yl-[(4-sulfamoylphenyl)methyl]azanium

Systemtic Name: pentan-3-yl-[(4-sulfamoylphenyl)methyl]azanium Openeye Name: 1-ethylpropyl-[(4-sulfamoylphenyl)methyl]ammonium CAS Name: pentan-3-yl-[(4-sulfamoylphenyl)methyl]ammonium IUPAC Name: pentan-3-yl-[(4-sulfamoylphenyl)methyl]azanium Traditional Name: 1-ethylpropyl-(4-sulfamoylbenzyl)ammonium Formula: C12H21N2O2S+ MolecularWeight: 257.37234

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)[NH2+]CC1=CC=C(C=C1)S(=O)(=O)N

Isomeric SMILES

CCC(CC)[NH2+]CC1=CC=C(C=C1)S(=O)(=O)N

InChI

InChI=1S/C12H20N2O2S/c1-3-11(4-2)14-9-10-5-7-12(8-6-10)17(13,15)16/h5-8,11,14H,3-4,9H2,1-2H3,(H2,13,15,16)/p+1