[(1S)-1-[3-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]ethyl]azanium

Systemtic Name: [(1S)-1-[3-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]ethyl]azanium Openeye Name: [(1S)-1-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]ethyl]ammonium CAS Name: [(1S)-1-[3-[(3-oxo-1-piperazinyl)sulfonyl]phenyl]ethyl]ammonium IUPAC Name: [(1S)-1-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]ethyl]azanium Traditional Name: [(1S)-1-[3-(3-ketopiperazino)sulfonylphenyl]ethyl]ammonium Formula: C12H18N3O3S+ MolecularWeight: 284.35462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)S(=O)(=O)N2CCNC(=O)C2)[NH3+]

Isomeric SMILES

C[C@@H](C1=CC(=CC=C1)S(=O)(=O)N2CCNC(=O)C2)[NH3+]

InChI

InChI=1S/C12H17N3O3S/c1-9(13)10-3-2-4-11(7-10)19(17,18)15-6-5-14-12(16)8-15/h2-4,7,9H,5-6,8,13H2,1H3,(H,14,16)/p+1/t9-/m0/s1