2-azaniumylethylsulfonyl-[3-(2-methylpropoxy)phenyl]azanide

Systemtic Name: 2-azaniumylethylsulfonyl-[3-(2-methylpropoxy)phenyl]azanide Openeye Name: 2-azaniumylethylsulfonyl-(3-isobutoxyphenyl)azanide CAS Name: 2-ammonioethylsulfonyl-[3-(2-methylpropoxy)phenyl]azanide IUPAC Name: 2-azaniumylethylsulfonyl-[3-(2-methylpropoxy)phenyl]azanide Traditional Name: 2-ammonioethylsulfonyl-(3-isobutoxyphenyl)azanide Formula: C12H20N2O3S MolecularWeight: 272.3638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=C1)[N-]S(=O)(=O)CC[NH3+]

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)[N-]S(=O)(=O)CC[NH3+]

InChI

InChI=1S/C12H19N2O3S/c1-10(2)9-17-12-5-3-4-11(8-12)14-18(15,16)7-6-13/h3-5,8,10H,6-7,9,13H2,1-2H3/q-1/p+1