(6-carbamimidoylnaphthalen-2-yl) 4-(4,5-dihydro-1H-imidazol-2-ylamino)benzoate; methanesulfonic acid

Systemtic Name: (6-carbamimidoylnaphthalen-2-yl) 4-(4,5-dihydro-1H-imidazol-2-ylamino)benzoate; methanesulfonic acid Openeye Name: (6-carbamimidoyl-2-naphthyl) 4-(4,5-dihydro-1H-imidazol-2-ylamino)benzoate; methanesulfonic acid CAS Name: 4-(4,5-dihydro-1H-imidazol-2-ylamino)benzoic acid (6-carbamimidoyl-2-naphthalenyl) ester; methanesulfonic acid IUPAC Name: (6-carbamimidoylnaphthalen-2-yl) 4-(4,5-dihydro-1H-imidazol-2-ylamino)benzoate; methanesulfonic acid Traditional Name: 4-(2-imidazolin-2-ylamino)benzoic acid (6-amidino-2-naphthyl) ester; mesylic acid Formula: C23H27N5O8S2 MolecularWeight: 565.61918

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.CS(=O)(=O)O.C1CN=C(N1)NC2=CC=C(C=C2)C(=O)OC3=CC4=C(C=C3)C=C(C=C4)C(=N)N

Isomeric SMILES

CS(=O)(=O)O.CS(=O)(=O)O.C1CN=C(N1)NC2=CC=C(C=C2)C(=O)OC3=CC4=C(C=C3)C=C(C=C4)C(=N)N

InChI

InChI=1S/C21H19N5O2.2CH4O3S/c22-19(23)16-2-1-15-12-18(8-5-14(15)11-16)28-20(27)13-3-6-17(7-4-13)26-21-24-9-10-25-21;2*1-5(2,3)4/h1-8,11-12H,9-10H2,(H3,22,23)(H2,24,25,26);2*1H3,(H,2,3,4)