2-(4-bromophenyl)sulfonylethyl-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]azanium

Systemtic Name: 2-(4-bromophenyl)sulfonylethyl-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]azanium Openeye Name: 2-(4-bromophenyl)sulfonylethyl-[(1S)-1-(4-isobutylphenyl)ethyl]ammonium CAS Name: 2-(4-bromophenyl)sulfonylethyl-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]ammonium IUPAC Name: 2-(4-bromophenyl)sulfonylethyl-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]azanium Traditional Name: 2-brosylethyl-[(1S)-1-(4-isobutylphenyl)ethyl]ammonium Formula: C20H27BrNO2S+ MolecularWeight: 425.40288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C)[NH2+]CCS(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)CC(C)C)[NH2+]CCS(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C20H26BrNO2S/c1-15(2)14-17-4-6-18(7-5-17)16(3)22-12-13-25(23,24)20-10-8-19(21)9-11-20/h4-11,15-16,22H,12-14H2,1-3H3/p+1/t16-/m0/s1