methanesulfonate; (4-phenoxyphenyl)methyl N-[(E)-N'-methylsulfonylcarbamimidoyl]carbamate

Systemtic Name: methanesulfonate; (4-phenoxyphenyl)methyl N-[(E)-N'-methylsulfonylcarbamimidoyl]carbamate Openeye Name: methanesulfonate; (4-phenoxyphenyl)methyl N-[(E)-N'-methylsulfonylcarbamimidoyl]carbamate CAS Name: N-[(E)-amino(methylsulfonylimino)methyl]carbamic acid (4-phenoxyphenyl)methyl ester; methanesulfonate IUPAC Name: methanesulfonate; (4-phenoxyphenyl)methyl N-[(E)-N'-methylsulfonylcarbamimidoyl]carbamate Traditional Name: N-[(E)-N'-mesylamidino]carbamic acid (4-phenoxybenzyl) ester mesylate Formula: C17H20N3O8S2- MolecularWeight: 458.486

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N=C(N)NC(=O)OCC1=CC=C(C=C1)OC2=CC=CC=C2.CS(=O)(=O)[O-]

Isomeric SMILES

CS(=O)(=O)/N=C(\N)/NC(=O)OCC1=CC=C(C=C1)OC2=CC=CC=C2.CS(=O)(=O)[O-]

InChI

InChI=1S/C16H17N3O5S.CH4O3S/c1-25(21,22)19-15(17)18-16(20)23-11-12-7-9-14(10-8-12)24-13-5-3-2-4-6-13;1-5(2,3)4/h2-10H,11H2,1H3,(H3,17,18,19,20);1H3,(H,2,3,4)/p-1