(1R,2R,3R,4S)-N-[(3-bromophenyl)methyl]-3-(4-hexylphenyl)sulfonyl-7-azabicyclo[2.2.1]heptan-2-amine dihydrobromide

Systemtic Name: (1R,2R,3R,4S)-N-[(3-bromophenyl)methyl]-3-(4-hexylphenyl)sulfonyl-7-azabicyclo[2.2.1]heptan-2-amine dihydrobromide Openeye Name: (1R,2R,3R,4S)-N-[(3-bromophenyl)methyl]-3-(4-hexylphenyl)sulfonyl-7-azabicyclo[2.2.1]heptan-2-amine dihydrobromide CAS Name: (1R,2R,3R,4S)-N-[(3-bromophenyl)methyl]-3-(4-hexylphenyl)sulfonyl-7-azabicyclo[2.2.1]heptan-2-amine dihydrobromide IUPAC Name: (1R,2R,3R,4S)-N-[(3-bromophenyl)methyl]-3-(4-hexylphenyl)sulfonyl-7-azabicyclo[2.2.1]heptan-2-amine dihydrobromide Traditional Name: (3-bromobenzyl)-[(1R,2R,3R,4S)-3-(4-hexylphenyl)sulfonyl-7-azabicyclo[2.2.1]heptan-2-yl]amine dihydrobromide Formula: C25H35Br3N2O2S MolecularWeight: 667.3346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)S(=O)(=O)C2C3CCC(C2NCC4=CC(=CC=C4)Br)N3.Br.Br

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)S(=O)(=O)[C@@H]2[C@@H]3CC[C@H]([C@H]2NCC4=CC(=CC=C4)Br)N3.Br.Br

InChI

InChI=1S/C25H33BrN2O2S.2BrH/c1-2-3-4-5-7-18-10-12-21(13-11-18)31(29,30)25-23-15-14-22(28-23)24(25)27-17-19-8-6-9-20(26)16-19;;/h6,8-13,16,22-25,27-28H,2-5,7,14-15,17H2,1H3;2*1H/t22-,23+,24-,25-;;/m1../s1