[(2S)-1-[[4-bromanyl-2-(phenylcarbonyl)phenyl]amino]-1-oxidanylidene-propan-2-yl]-cyclohexyl-azanium

Systemtic Name: [(2S)-1-[[4-bromanyl-2-(phenylcarbonyl)phenyl]amino]-1-oxidanylidene-propan-2-yl]-cyclohexyl-azanium Openeye Name: [(1S)-2-(2-benzoyl-4-bromo-anilino)-1-methyl-2-oxo-ethyl]-cyclohexyl-ammonium CAS Name: [(2S)-1-(2-benzoyl-4-bromoanilino)-1-oxopropan-2-yl]-cyclohexylammonium IUPAC Name: [(2S)-1-(2-benzoyl-4-bromoanilino)-1-oxopropan-2-yl]-cyclohexylazanium Traditional Name: [(1S)-2-(2-benzoyl-4-bromo-anilino)-2-keto-1-methyl-ethyl]-cyclohexyl-ammonium Formula: C22H26BrN2O2+ MolecularWeight: 430.35804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)Br)C(=O)C2=CC=CC=C2)[NH2+]C3CCCCC3

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=C(C=C1)Br)C(=O)C2=CC=CC=C2)[NH2+]C3CCCCC3

InChI

InChI=1S/C22H25BrN2O2/c1-15(24-18-10-6-3-7-11-18)22(27)25-20-13-12-17(23)14-19(20)21(26)16-8-4-2-5-9-16/h2,4-5,8-9,12-15,18,24H,3,6-7,10-11H2,1H3,(H,25,27)/p+1/t15-/m0/s1