[3-[(1S)-1-azaniumylethyl]phenyl]sulfonyl-(3-methyl-1,2-oxazol-5-yl)azanide

Systemtic Name: [3-[(1S)-1-azaniumylethyl]phenyl]sulfonyl-(3-methyl-1,2-oxazol-5-yl)azanide Openeye Name: [3-[(1S)-1-azaniumylethyl]phenyl]sulfonyl-(3-methylisoxazol-5-yl)azanide CAS Name: [3-[(1S)-1-ammonioethyl]phenyl]sulfonyl-(3-methyl-5-isoxazolyl)azanide IUPAC Name: [3-[(1S)-1-azaniumylethyl]phenyl]sulfonyl-(3-methyl-1,2-oxazol-5-yl)azanide Traditional Name: [3-[(1S)-1-ammonioethyl]phenyl]sulfonyl-(3-methylisoxazol-5-yl)azanide Formula: C12H15N3O3S MolecularWeight: 281.3308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)[N-]S(=O)(=O)C2=CC=CC(=C2)C(C)[NH3+]

Isomeric SMILES

CC1=NOC(=C1)[N-]S(=O)(=O)C2=CC=CC(=C2)[C@H](C)[NH3+]

InChI

InChI=1S/C12H14N3O3S/c1-8-6-12(18-14-8)15-19(16,17)11-5-3-4-10(7-11)9(2)13/h3-7,9H,13H2,1-2H3/q-1/p+1/t9-/m0/s1