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

Systemtic Name: methyl 3-[bis(azanyl)methylideneamino]-4-(methylsulfonylamino)benzoate Openeye Name: methyl 3-guanidino-4-(methanesulfonamido)benzoate CAS Name: 3-(diaminomethylideneamino)-4-(methanesulfonamido)benzoic acid methyl ester IUPAC Name: methyl 3-(diaminomethylideneamino)-4-(methanesulfonamido)benzoate Traditional Name: 3-guanidino-4-(methanesulfonamido)benzoic acid methyl ester Formula: C10H14N4O4S MolecularWeight: 286.30756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14N4O4S/c1-18-9(15)6-3-4-7(14-19(2,16)17)8(5-6)13-10(11)12/h3-5,14H,1-2H3,(H4,11,12,13)