methyl 3-[bis(azanyl)methylideneamino]-4-sulfamoyl-benzoate

Systemtic Name: methyl 3-[bis(azanyl)methylideneamino]-4-sulfamoyl-benzoate Openeye Name: methyl 3-guanidino-4-sulfamoyl-benzoate CAS Name: 3-(diaminomethylideneamino)-4-sulfamoylbenzoic acid methyl ester IUPAC Name: methyl 3-(diaminomethylideneamino)-4-sulfamoylbenzoate Traditional Name: 3-guanidino-4-sulfamoyl-benzoic acid methyl ester Formula: C9H12N4O4S MolecularWeight: 272.28098

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)S(=O)(=O)N)N=C(N)N

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)S(=O)(=O)N)N=C(N)N

InChI

InChI=1S/C9H12N4O4S/c1-17-8(14)5-2-3-7(18(12,15)16)6(4-5)13-9(10)11/h2-4H,1H3,(H4,10,11,13)(H2,12,15,16)