2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-N-cyano-benzamide; methanesulfonate

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-N-cyano-benzamide; methanesulfonate Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-N-cyano-benzamide; methanesulfonate CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]-N-cyanobenzamide; methanesulfonate IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-N-cyanobenzamide; methanesulfonate Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]phenyl]-N-cyano-benzamide mesylate Formula: C23H20N5O5S- MolecularWeight: 478.5004

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].C1=CC=C(C(=C1)C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)NC#N

Isomeric SMILES

CS(=O)(=O)[O-].C1=CC=C(C(=C1)C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)NC#N

InChI

InChI=1S/C22H17N5O2.CH4O3S/c23-13-26-21(28)18-7-3-1-5-16(18)17-6-2-4-8-19(17)22(29)27-15-11-9-14(10-12-15)20(24)25;1-5(2,3)4/h1-12H,(H3,24,25)(H,26,28)(H,27,29);1H3,(H,2,3,4)/p-1