[4-[(1S)-1-azaniumylethyl]phenyl]sulfonyl-(2-bromanyl-4-methyl-phenyl)azanide

Systemtic Name: [4-[(1S)-1-azaniumylethyl]phenyl]sulfonyl-(2-bromanyl-4-methyl-phenyl)azanide Openeye Name: [4-[(1S)-1-azaniumylethyl]phenyl]sulfonyl-(2-bromo-4-methyl-phenyl)azanide CAS Name: [4-[(1S)-1-ammonioethyl]phenyl]sulfonyl-(2-bromo-4-methylphenyl)azanide IUPAC Name: [4-[(1S)-1-azaniumylethyl]phenyl]sulfonyl-(2-bromo-4-methylphenyl)azanide Traditional Name: [4-[(1S)-1-ammonioethyl]phenyl]sulfonyl-(2-bromo-4-methyl-phenyl)azanide Formula: C15H17BrN2O2S MolecularWeight: 369.27668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16BrN2O2S/c1-10-3-8-15(14(16)9-10)18-21(19,20)13-6-4-12(5-7-13)11(2)17/h3-9,11H,17H2,1-2H3/q-1/p+1/t11-/m0/s1