2-[3-(dimethylaminomethyl)-4-(2-nitrophenyl)sulfanyl-phenoxy]ethyl methanesulfonate

Systemtic Name: 2-[3-(dimethylaminomethyl)-4-(2-nitrophenyl)sulfanyl-phenoxy]ethyl methanesulfonate Openeye Name: 2-[3-(dimethylaminomethyl)-4-(2-nitrophenyl)sulfanyl-phenoxy]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[3-(dimethylaminomethyl)-4-[(2-nitrophenyl)thio]phenoxy]ethyl ester IUPAC Name: 2-[3-(dimethylaminomethyl)-4-(2-nitrophenyl)sulfanylphenoxy]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[3-(dimethylaminomethyl)-4-[(2-nitrophenyl)thio]phenoxy]ethyl ester Formula: C18H22N2O6S2 MolecularWeight: 426.50708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O6S2/c1-19(2)13-14-12-15(25-10-11-26-28(3,23)24)8-9-17(14)27-18-7-5-4-6-16(18)20(21)22/h4-9,12H,10-11,13H2,1-3H3