methanesulfonic acid; methyl 2-[4-[bis(azanyl)methylideneamino]phenyl]carbonyloxy-6-carbamimidoyl-naphthalene-1-carboxylate

Systemtic Name: methanesulfonic acid; methyl 2-[4-[bis(azanyl)methylideneamino]phenyl]carbonyloxy-6-carbamimidoyl-naphthalene-1-carboxylate Openeye Name: methanesulfonic acid; methyl 6-carbamimidoyl-2-(4-guanidinobenzoyl)oxy-naphthalene-1-carboxylate CAS Name: 6-carbamimidoyl-2-[[4-(diaminomethylideneamino)phenyl]-oxomethoxy]-1-naphthalenecarboxylic acid methyl ester; methanesulfonic acid IUPAC Name: methanesulfonic acid; methyl 6-carbamimidoyl-2-[4-(diaminomethylideneamino)benzoyl]oxynaphthalene-1-carboxylate Traditional Name: 6-amidino-2-(4-guanidinobenzoyl)oxy-naphthalene-1-carboxylic acid methyl ester; mesylic acid Formula: C23H27N5O10S2 MolecularWeight: 597.61798

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC2=C1C=CC(=C2)C(=N)N)OC(=O)C3=CC=C(C=C3)N=C(N)N.CS(=O)(=O)O.CS(=O)(=O)O

Isomeric SMILES

COC(=O)C1=C(C=CC2=C1C=CC(=C2)C(=N)N)OC(=O)C3=CC=C(C=C3)N=C(N)N.CS(=O)(=O)O.CS(=O)(=O)O

InChI

InChI=1S/C21H19N5O4.2CH4O3S/c1-29-20(28)17-15-8-4-13(18(22)23)10-12(15)5-9-16(17)30-19(27)11-2-6-14(7-3-11)26-21(24)25;2*1-5(2,3)4/h2-10H,1H3,(H3,22,23)(H4,24,25,26);2*1H3,(H,2,3,4)