[3-[[carbamimidoyl(cyclopropylmethoxy)amino]methoxy]-5-methyl-phenyl] 2-methylsulfonylbenzenesulfonate hydrochloride

Systemtic Name: [3-[[carbamimidoyl(cyclopropylmethoxy)amino]methoxy]-5-methyl-phenyl] 2-methylsulfonylbenzenesulfonate hydrochloride Openeye Name: [3-[[carbamimidoyl(cyclopropylmethoxy)amino]methoxy]-5-methyl-phenyl] 2-methylsulfonylbenzenesulfonate hydrochloride CAS Name: 2-methylsulfonylbenzenesulfonic acid [3-[[carbamimidoyl(cyclopropylmethoxy)amino]methoxy]-5-methylphenyl] ester hydrochloride IUPAC Name: [3-[[carbamimidoyl(cyclopropylmethoxy)amino]methoxy]-5-methylphenyl] 2-methylsulfonylbenzenesulfonate hydrochloride Traditional Name: 2-mesylbenzenesulfonic acid [3-[[amidino(cyclopropylmethoxy)amino]methoxy]-5-methyl-phenyl] ester hydrochloride Formula: C20H26ClN3O7S2 MolecularWeight: 520.01934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2S(=O)(=O)C)OCN(C(=N)N)OCC3CC3.Cl

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2S(=O)(=O)C)OCN(C(=N)N)OCC3CC3.Cl

InChI

InChI=1S/C20H25N3O7S2.ClH/c1-14-9-16(28-13-23(20(21)22)29-12-15-7-8-15)11-17(10-14)30-32(26,27)19-6-4-3-5-18(19)31(2,24)25;/h3-6,9-11,15H,7-8,12-13H2,1-2H3,(H3,21,22);1H