[4-carbamimidoyl-2-(phenylcarbonyl)phenyl] 4-acetamidobenzoate; methanesulfonic acid

Systemtic Name: [4-carbamimidoyl-2-(phenylcarbonyl)phenyl] 4-acetamidobenzoate; methanesulfonic acid Openeye Name: (2-benzoyl-4-carbamimidoyl-phenyl) 4-acetamidobenzoate; methanesulfonic acid CAS Name: 4-acetamidobenzoic acid (2-benzoyl-4-carbamimidoylphenyl) ester; methanesulfonic acid IUPAC Name: (2-benzoyl-4-carbamimidoylphenyl) 4-acetamidobenzoate; methanesulfonic acid Traditional Name: 4-acetamidobenzoic acid (4-amidino-2-benzoyl-phenyl) ester; mesylic acid Formula: C24H23N3O7S MolecularWeight: 497.52032

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C(=N)N)C(=O)C3=CC=CC=C3.CS(=O)(=O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C(=N)N)C(=O)C3=CC=CC=C3.CS(=O)(=O)O

InChI

InChI=1S/C23H19N3O4.CH4O3S/c1-14(27)26-18-10-7-16(8-11-18)23(29)30-20-12-9-17(22(24)25)13-19(20)21(28)15-5-3-2-4-6-15;1-5(2,3)4/h2-13H,1H3,(H3,24,25)(H,26,27);1H3,(H,2,3,4)