5-fluoranyl-2-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]aniline

Systemtic Name: 5-fluoranyl-2-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]aniline Openeye Name: 5-fluoro-2-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]aniline CAS Name: 5-fluoro-2-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]aniline IUPAC Name: 5-fluoro-2-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]aniline Traditional Name: [5-fluoro-2-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]phenyl]amine Formula: C12H19FN3O2S+ MolecularWeight: 288.361563

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)S(=O)(=O)C2=C(C=C(C=C2)F)N

Isomeric SMILES

C[NH+]1CCCN(CC1)S(=O)(=O)C2=C(C=C(C=C2)F)N

InChI

InChI=1S/C12H18FN3O2S/c1-15-5-2-6-16(8-7-15)19(17,18)12-4-3-10(13)9-11(12)14/h3-4,9H,2,5-8,14H2,1H3/p+1