guanidine; methanesulfonic acid; methylsulfonyl 3-[bis(azanyl)methylidenecarbamoyl]-5-phenyl-benzoate

Systemtic Name: guanidine; methanesulfonic acid; methylsulfonyl 3-[bis(azanyl)methylidenecarbamoyl]-5-phenyl-benzoate Openeye Name: guanidine; methanesulfonic acid; methylsulfonyl 3-(diaminomethylenecarbamoyl)-5-phenyl-benzoate CAS Name: 3-[(diaminomethylideneamino)-oxomethyl]-5-phenylbenzoic acid methylsulfonyl ester; guanidine; methanesulfonic acid IUPAC Name: guanidine; methanesulfonic acid; methylsulfonyl 3-(diaminomethylidenecarbamoyl)-5-phenylbenzoate Traditional Name: 3-(diaminomethylenecarbamoyl)-5-phenyl-benzoic acid mesyl ester; guanidine; mesylic acid Formula: C18H24N6O8S2 MolecularWeight: 516.54856

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.CS(=O)(=O)OC(=O)C1=CC(=CC(=C1)C(=O)N=C(N)N)C2=CC=CC=C2.C(=N)(N)N

Isomeric SMILES

CS(=O)(=O)O.CS(=O)(=O)OC(=O)C1=CC(=CC(=C1)C(=O)N=C(N)N)C2=CC=CC=C2.C(=N)(N)N

InChI

InChI=1S/C16H15N3O5S.CH5N3.CH4O3S/c1-25(22,23)24-15(21)13-8-11(10-5-3-2-4-6-10)7-12(9-13)14(20)19-16(17)18;2-1(3)4;1-5(2,3)4/h2-9H,1H3,(H4,17,18,19,20);(H5,2,3,4);1H3,(H,2,3,4)