methanesulfonic acid; 3-methoxy-4-[3-(phenylmethylsulfanyl)propoxy]aniline

Systemtic Name: methanesulfonic acid; 3-methoxy-4-[3-(phenylmethylsulfanyl)propoxy]aniline Openeye Name: 4-(3-benzylsulfanylpropoxy)-3-methoxy-aniline; methanesulfonic acid CAS Name: methanesulfonic acid; 3-methoxy-4-[3-(phenylmethylthio)propoxy]aniline IUPAC Name: 4-(3-benzylsulfanylpropoxy)-3-methoxyaniline; methanesulfonic acid Traditional Name: [4-[3-(benzylthio)propoxy]-3-methoxy-phenyl]amine; mesylic acid Formula: C18H25NO5S2 MolecularWeight: 399.5248

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N)OCCCSCC2=CC=CC=C2.CS(=O)(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)N)OCCCSCC2=CC=CC=C2.CS(=O)(=O)O

InChI

InChI=1S/C17H21NO2S.CH4O3S/c1-19-17-12-15(18)8-9-16(17)20-10-5-11-21-13-14-6-3-2-4-7-14;1-5(2,3)4/h2-4,6-9,12H,5,10-11,13,18H2,1H3;1H3,(H,2,3,4)