methyl 3-[[N-cyano-N'-[(4-sulfamoylphenyl)methyl]carbamimidoyl]amino]benzoate

Systemtic Name: methyl 3-[[N-cyano-N'-[(4-sulfamoylphenyl)methyl]carbamimidoyl]amino]benzoate Openeye Name: methyl 3-[[N-cyano-N'-[(4-sulfamoylphenyl)methyl]carbamimidoyl]amino]benzoate CAS Name: 3-[[(cyanoamino)-[(4-sulfamoylphenyl)methylimino]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[N-cyano-N'-[(4-sulfamoylphenyl)methyl]carbamimidoyl]amino]benzoate Traditional Name: 3-[[N-cyano-N'-(4-sulfamoylbenzyl)amidino]amino]benzoic acid methyl ester Formula: C17H17N5O4S MolecularWeight: 387.41298

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=NCC2=CC=C(C=C2)S(=O)(=O)N)NC#N

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=NCC2=CC=C(C=C2)S(=O)(=O)N)NC#N

InChI

InChI=1S/C17H17N5O4S/c1-26-16(23)13-3-2-4-14(9-13)22-17(21-11-18)20-10-12-5-7-15(8-6-12)27(19,24)25/h2-9H,10H2,1H3,(H2,19,24,25)(H2,20,21,22)