9-azanyl-N-(2-azanylethyl)-1-[2-ethyl-3,4-bis(oxidanyl)phenyl]-N-phenyl-nonane-3-sulfonamide hydrate dihydrobromide

Systemtic Name: 9-azanyl-N-(2-azanylethyl)-1-[2-ethyl-3,4-bis(oxidanyl)phenyl]-N-phenyl-nonane-3-sulfonamide hydrate dihydrobromide Openeye Name: 9-amino-N-(2-aminoethyl)-1-(2-ethyl-3,4-dihydroxy-phenyl)-N-phenyl-nonane-3-sulfonamide hydrate dihydrobromide CAS Name: 9-amino-N-(2-aminoethyl)-1-(2-ethyl-3,4-dihydroxyphenyl)-N-phenyl-3-nonanesulfonamide hydrate dihydrobromide IUPAC Name: 9-amino-N-(2-aminoethyl)-1-(2-ethyl-3,4-dihydroxyphenyl)-N-phenylnonane-3-sulfonamide hydrate dihydrobromide Traditional Name: 9-amino-N-(2-aminoethyl)-1-(2-ethyl-3,4-dihydroxy-phenyl)-N-phenyl-nonane-3-sulfonamide hydrate dihydrobromide Formula: C25H43Br2N3O5S MolecularWeight: 657.49902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1O)O)CCC(CCCCCCN)S(=O)(=O)N(CCN)C2=CC=CC=C2.O.Br.Br

Isomeric SMILES

CCC1=C(C=CC(=C1O)O)CCC(CCCCCCN)S(=O)(=O)N(CCN)C2=CC=CC=C2.O.Br.Br

InChI

InChI=1S/C25H39N3O4S.2BrH.H2O/c1-2-23-20(14-16-24(29)25(23)30)13-15-22(12-8-3-4-9-17-26)33(31,32)28(19-18-27)21-10-6-5-7-11-21;;;/h5-7,10-11,14,16,22,29-30H,2-4,8-9,12-13,15,17-19,26-27H2,1H3;2*1H;1H2