methanesulfonic acid; 4-[5-(2-methoxyphenoxy)pentoxysulfanyl]benzenecarboximidamide

Systemtic Name: methanesulfonic acid; 4-[5-(2-methoxyphenoxy)pentoxysulfanyl]benzenecarboximidamide Openeye Name: methanesulfonic acid; 4-[5-(2-methoxyphenoxy)pentoxysulfanyl]benzamidine CAS Name: 4-carbamimidoylbenzenesulfenic acid 5-(2-methoxyphenoxy)pentyl ester; methanesulfonic acid IUPAC Name: methanesulfonic acid; 4-[5-(2-methoxyphenoxy)pentoxysulfanyl]benzenecarboximidamide Traditional Name: mesylic acid; 4-[5-(2-methoxyphenoxy)pentoxythio]benzamidine Formula: C20H28N2O6S2 MolecularWeight: 456.57612

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OCCCCCOSC2=CC=C(C=C2)C(=N)N.CS(=O)(=O)O

Isomeric SMILES

COC1=CC=CC=C1OCCCCCOSC2=CC=C(C=C2)C(=N)N.CS(=O)(=O)O

InChI

InChI=1S/C19H24N2O3S.CH4O3S/c1-22-17-7-3-4-8-18(17)23-13-5-2-6-14-24-25-16-11-9-15(10-12-16)19(20)21;1-5(2,3)4/h3-4,7-12H,2,5-6,13-14H2,1H3,(H3,20,21);1H3,(H,2,3,4)