N-(4-carbamimidoylphenyl)-5-methyl-2-[2-(oxidanylcarbamoyl)phenyl]benzamide; methanesulfonate

Systemtic Name: N-(4-carbamimidoylphenyl)-5-methyl-2-[2-(oxidanylcarbamoyl)phenyl]benzamide; methanesulfonate Openeye Name: N-(4-carbamimidoylphenyl)-2-[2-(hydroxycarbamoyl)phenyl]-5-methyl-benzamide; methanesulfonate CAS Name: N-(4-carbamimidoylphenyl)-2-[2-[(hydroxyamino)-oxomethyl]phenyl]-5-methylbenzamide; methanesulfonate IUPAC Name: N-(4-carbamimidoylphenyl)-2-[2-(hydroxycarbamoyl)phenyl]-5-methylbenzamide; methanesulfonate Traditional Name: N-(4-amidinophenyl)-2-[2-(hydroxycarbamoyl)phenyl]-5-methyl-benzamide mesylate Formula: C23H23N4O6S- MolecularWeight: 483.51692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=CC=CC=C2C(=O)NO)C(=O)NC3=CC=C(C=C3)C(=N)N.CS(=O)(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C2=CC=CC=C2C(=O)NO)C(=O)NC3=CC=C(C=C3)C(=N)N.CS(=O)(=O)[O-]

InChI

InChI=1S/C22H20N4O3.CH4O3S/c1-13-6-11-17(16-4-2-3-5-18(16)22(28)26-29)19(12-13)21(27)25-15-9-7-14(8-10-15)20(23)24;1-5(2,3)4/h2-12,29H,1H3,(H3,23,24)(H,25,27)(H,26,28);1H3,(H,2,3,4)/p-1