(6-carbamimidoylnaphthalen-2-yl) 5-[2-[4-[bis(azanyl)methylideneamino]phenyl]ethyl]furan-2-carboxylate; methanesulfonic acid

Systemtic Name: (6-carbamimidoylnaphthalen-2-yl) 5-[2-[4-[bis(azanyl)methylideneamino]phenyl]ethyl]furan-2-carboxylate; methanesulfonic acid Openeye Name: (6-carbamimidoyl-2-naphthyl) 5-[2-(4-guanidinophenyl)ethyl]furan-2-carboxylate; methanesulfonic acid CAS Name: 5-[2-[4-(diaminomethylideneamino)phenyl]ethyl]-2-furancarboxylic acid (6-carbamimidoyl-2-naphthalenyl) ester; methanesulfonic acid IUPAC Name: (6-carbamimidoylnaphthalen-2-yl) 5-[2-[4-(diaminomethylideneamino)phenyl]ethyl]furan-2-carboxylate; methanesulfonic acid Traditional Name: 5-[2-(4-guanidinophenyl)ethyl]furan-2-carboxylic acid (6-amidino-2-naphthyl) ester; mesylic acid Formula: C27H31N5O9S2 MolecularWeight: 633.69314

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.CS(=O)(=O)O.C1=CC(=CC=C1CCC2=CC=C(O2)C(=O)OC3=CC4=C(C=C3)C=C(C=C4)C(=N)N)N=C(N)N

Isomeric SMILES

CS(=O)(=O)O.CS(=O)(=O)O.C1=CC(=CC=C1CCC2=CC=C(O2)C(=O)OC3=CC4=C(C=C3)C=C(C=C4)C(=N)N)N=C(N)N

InChI

InChI=1S/C25H23N5O3.2CH4O3S/c26-23(27)18-5-4-17-14-21(10-6-16(17)13-18)33-24(31)22-12-11-20(32-22)9-3-15-1-7-19(8-2-15)30-25(28)29;2*1-5(2,3)4/h1-2,4-8,10-14H,3,9H2,(H3,26,27)(H4,28,29,30);2*1H3,(H,2,3,4)