(2S)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]propanamide

Systemtic Name: (2S)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]propanamide Openeye Name: (2S)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]propanamide CAS Name: (2S)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]propanamide IUPAC Name: (2S)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]propanamide Traditional Name: (2S)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]propionamide Formula: C14H21FN3O3S+ MolecularWeight: 330.398243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20FN3O3S/c1-11(14(16)19)17-7-2-8-18(10-9-17)22(20,21)13-5-3-12(15)4-6-13/h3-6,11H,2,7-10H2,1H3,(H2,16,19)/p+1/t11-/m0/s1