2-[(4-fluoranyl-3-methyl-phenyl)sulfonyl-propan-2-yl-amino]ethylazanium

Systemtic Name: 2-[(4-fluoranyl-3-methyl-phenyl)sulfonyl-propan-2-yl-amino]ethylazanium Openeye Name: 2-[(4-fluoro-3-methyl-phenyl)sulfonyl-isopropyl-amino]ethylammonium CAS Name: 2-[(4-fluoro-3-methylphenyl)sulfonyl-propan-2-ylamino]ethylammonium IUPAC Name: 2-[(4-fluoro-3-methylphenyl)sulfonyl-propan-2-ylamino]ethylazanium Traditional Name: 2-[(4-fluoro-3-methyl-phenyl)sulfonyl-isopropyl-amino]ethylammonium Formula: C12H20FN2O2S+ MolecularWeight: 275.362803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N(CC[NH3+])C(C)C)F

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N(CC[NH3+])C(C)C)F

InChI

InChI=1S/C12H19FN2O2S/c1-9(2)15(7-6-14)18(16,17)11-4-5-12(13)10(3)8-11/h4-5,8-9H,6-7,14H2,1-3H3/p+1