(2S)-2-[4-(4-bromanyl-3-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-2-(4-fluorophenyl)ethanenitrile

Systemtic Name: (2S)-2-[4-(4-bromanyl-3-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-2-(4-fluorophenyl)ethanenitrile Openeye Name: (2S)-2-[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-2-(4-fluorophenyl)acetonitrile CAS Name: (2S)-2-[4-(4-bromo-3-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-2-(4-fluorophenyl)acetonitrile IUPAC Name: (2S)-2-[4-(4-bromo-3-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-2-(4-fluorophenyl)acetonitrile Traditional Name: (2S)-2-[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-2-(4-fluorophenyl)acetonitrile Formula: C19H20BrFN3O2S+ MolecularWeight: 453.348403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CC[NH+](CC2)C(C#N)C3=CC=C(C=C3)F)Br

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CC[NH+](CC2)[C@H](C#N)C3=CC=C(C=C3)F)Br

InChI

InChI=1S/C19H19BrFN3O2S/c1-14-12-17(6-7-18(14)20)27(25,26)24-10-8-23(9-11-24)19(13-22)15-2-4-16(21)5-3-15/h2-7,12,19H,8-11H2,1H3/p+1/t19-/m1/s1