[4-(2-azanyl-2-oxidanylidene-ethoxy)carbonylphenyl] 4-[bis(azanyl)methylideneamino]benzoate; methanesulfonate

Systemtic Name: [4-(2-azanyl-2-oxidanylidene-ethoxy)carbonylphenyl] 4-[bis(azanyl)methylideneamino]benzoate; methanesulfonate Openeye Name: [4-(2-amino-2-oxo-ethoxy)carbonylphenyl] 4-guanidinobenzoate; methanesulfonate CAS Name: 4-(diaminomethylideneamino)benzoic acid [4-[(2-amino-2-oxoethoxy)-oxomethyl]phenyl] ester; methanesulfonate IUPAC Name: [4-(2-amino-2-oxoethoxy)carbonylphenyl] 4-(diaminomethylideneamino)benzoate; methanesulfonate Traditional Name: 4-guanidinobenzoic acid [4-(2-amino-2-keto-ethoxy)carbonylphenyl] ester mesylate Formula: C18H19N4O8S- MolecularWeight: 451.43046

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].C1=CC(=CC=C1C(=O)OC2=CC=C(C=C2)C(=O)OCC(=O)N)N=C(N)N

Isomeric SMILES

CS(=O)(=O)[O-].C1=CC(=CC=C1C(=O)OC2=CC=C(C=C2)C(=O)OCC(=O)N)N=C(N)N

InChI

InChI=1S/C17H16N4O5.CH4O3S/c18-14(22)9-25-15(23)10-3-7-13(8-4-10)26-16(24)11-1-5-12(6-2-11)21-17(19)20;1-5(2,3)4/h1-8H,9H2,(H2,18,22)(H4,19,20,21);1H3,(H,2,3,4)/p-1