(2-benzamidophenyl) 4-carbamimidoylbenzoate; methanesulfonate

Systemtic Name: (2-benzamidophenyl) 4-carbamimidoylbenzoate; methanesulfonate Openeye Name: (2-benzamidophenyl) 4-carbamimidoylbenzoate; methanesulfonate CAS Name: 4-carbamimidoylbenzoic acid (2-benzamidophenyl) ester; methanesulfonate IUPAC Name: (2-benzamidophenyl) 4-carbamimidoylbenzoate; methanesulfonate Traditional Name: 4-amidinobenzoic acid (2-benzamidophenyl) ester mesylate Formula: C22H20N3O6S- MolecularWeight: 454.4757

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2OC(=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CS(=O)(=O)[O-].C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2OC(=O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C21H17N3O3.CH4O3S/c22-19(23)14-10-12-16(13-11-14)21(26)27-18-9-5-4-8-17(18)24-20(25)15-6-2-1-3-7-15;1-5(2,3)4/h1-13H,(H3,22,23)(H,24,25);1H3,(H,2,3,4)/p-1