2-methyl-1-[3-[methyl-(2-methylsulfonylphenyl)sulfonyl-amino]phenoxy]-1-propoxy-guanidine hydrochloride

Systemtic Name: 2-methyl-1-[3-[methyl-(2-methylsulfonylphenyl)sulfonyl-amino]phenoxy]-1-propoxy-guanidine hydrochloride Openeye Name: 2-methyl-1-[3-[methyl-(2-methylsulfonylphenyl)sulfonyl-amino]phenoxy]-1-propoxy-guanidine hydrochloride CAS Name: 2-methyl-1-[3-[methyl-(2-methylsulfonylphenyl)sulfonylamino]phenoxy]-1-propoxyguanidine hydrochloride IUPAC Name: 2-methyl-1-[3-[methyl-(2-methylsulfonylphenyl)sulfonylamino]phenoxy]-1-propoxyguanidine hydrochloride Traditional Name: 1-[3-[(2-mesylphenyl)sulfonyl-methyl-amino]phenoxy]-2-methyl-1-propoxy-guanidine hydrochloride Formula: C19H27ClN4O6S2 MolecularWeight: 507.02388

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Descriptors Computed from Structure

Canonical SMILES:

CCCON(C(=NC)N)OC1=CC=CC(=C1)N(C)S(=O)(=O)C2=CC=CC=C2S(=O)(=O)C.Cl

Isomeric SMILES

CCCON(C(=NC)N)OC1=CC=CC(=C1)N(C)S(=O)(=O)C2=CC=CC=C2S(=O)(=O)C.Cl

InChI

InChI=1S/C19H26N4O6S2.ClH/c1-5-13-28-23(19(20)21-2)29-16-10-8-9-15(14-16)22(3)31(26,27)18-12-7-6-11-17(18)30(4,24)25;/h6-12,14H,5,13H2,1-4H3,(H2,20,21);1H