guanidine; methanesulfonic acid; methylsulfonyl 4-[bis(azanyl)methylidenecarbamoyl]-2-pyrrol-1-yl-benzoate

Systemtic Name: guanidine; methanesulfonic acid; methylsulfonyl 4-[bis(azanyl)methylidenecarbamoyl]-2-pyrrol-1-yl-benzoate Openeye Name: guanidine; methanesulfonic acid; methylsulfonyl 4-(diaminomethylenecarbamoyl)-2-pyrrol-1-yl-benzoate CAS Name: 4-[(diaminomethylideneamino)-oxomethyl]-2-(1-pyrrolyl)benzoic acid methylsulfonyl ester; guanidine; methanesulfonic acid IUPAC Name: guanidine; methanesulfonic acid; methylsulfonyl 4-(diaminomethylidenecarbamoyl)-2-pyrrol-1-ylbenzoate Traditional Name: 4-(diaminomethylenecarbamoyl)-2-pyrrol-1-yl-benzoic acid mesyl ester; guanidine; mesylic acid Formula: C16H23N7O8S2 MolecularWeight: 505.52592

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.CS(=O)(=O)OC(=O)C1=C(C=C(C=C1)C(=O)N=C(N)N)N2C=CC=C2.C(=N)(N)N

Isomeric SMILES

CS(=O)(=O)O.CS(=O)(=O)OC(=O)C1=C(C=C(C=C1)C(=O)N=C(N)N)N2C=CC=C2.C(=N)(N)N

InChI

InChI=1S/C14H14N4O5S.CH5N3.CH4O3S/c1-24(21,22)23-13(20)10-5-4-9(12(19)17-14(15)16)8-11(10)18-6-2-3-7-18;2-1(3)4;1-5(2,3)4/h2-8H,1H3,(H4,15,16,17,19);(H5,2,3,4);1H3,(H,2,3,4)