methanesulfonate; [4-(2-oxidanylidene-2-piperidin-1-yl-ethoxy)carbonylphenyl] 4-[bis(azanyl)methylideneamino]benzoate

Systemtic Name: methanesulfonate; [4-(2-oxidanylidene-2-piperidin-1-yl-ethoxy)carbonylphenyl] 4-[bis(azanyl)methylideneamino]benzoate Openeye Name: methanesulfonate; [4-[2-oxo-2-(1-piperidyl)ethoxy]carbonylphenyl] 4-guanidinobenzoate CAS Name: 4-(diaminomethylideneamino)benzoic acid [4-[oxo-[2-oxo-2-(1-piperidinyl)ethoxy]methyl]phenyl] ester; methanesulfonate IUPAC Name: methanesulfonate; [4-(2-oxo-2-piperidin-1-ylethoxy)carbonylphenyl] 4-(diaminomethylideneamino)benzoate Traditional Name: 4-guanidinobenzoic acid [4-(2-keto-2-piperidino-ethoxy)carbonylphenyl] ester mesylate Formula: C23H27N4O8S- MolecularWeight: 519.54748

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].C1CCN(CC1)C(=O)COC(=O)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)N=C(N)N

Isomeric SMILES

CS(=O)(=O)[O-].C1CCN(CC1)C(=O)COC(=O)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)N=C(N)N

InChI

InChI=1S/C22H24N4O5.CH4O3S/c23-22(24)25-17-8-4-16(5-9-17)21(29)31-18-10-6-15(7-11-18)20(28)30-14-19(27)26-12-2-1-3-13-26;1-5(2,3)4/h4-11H,1-3,12-14H2,(H4,23,24,25);1H3,(H,2,3,4)/p-1