2-[4-(4-bromanyl-2-nitro-phenyl)sulfanyl-3-(dimethylaminomethyl)phenoxy]ethyl methanesulfonate

Systemtic Name: 2-[4-(4-bromanyl-2-nitro-phenyl)sulfanyl-3-(dimethylaminomethyl)phenoxy]ethyl methanesulfonate Openeye Name: 2-[4-(4-bromo-2-nitro-phenyl)sulfanyl-3-(dimethylaminomethyl)phenoxy]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[4-[(4-bromo-2-nitrophenyl)thio]-3-(dimethylaminomethyl)phenoxy]ethyl ester IUPAC Name: 2-[4-(4-bromo-2-nitrophenyl)sulfanyl-3-(dimethylaminomethyl)phenoxy]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[4-[(4-bromo-2-nitro-phenyl)thio]-3-(dimethylaminomethyl)phenoxy]ethyl ester Formula: C18H21BrN2O6S2 MolecularWeight: 505.40314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=C(C=CC(=C1)OCCOS(=O)(=O)C)SC2=C(C=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

CN(C)CC1=C(C=CC(=C1)OCCOS(=O)(=O)C)SC2=C(C=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C18H21BrN2O6S2/c1-20(2)12-13-10-15(26-8-9-27-29(3,24)25)5-7-17(13)28-18-6-4-14(19)11-16(18)21(22)23/h4-7,10-11H,8-9,12H2,1-3H3