methyl 4-[[4-[bis(azanyl)methylideneamino]sulfonylphenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[[4-[bis(azanyl)methylideneamino]sulfonylphenyl]amino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-(4-guanidinosulfonylanilino)-4-oxo-butanoate CAS Name: 4-[4-(diaminomethylideneamino)sulfonylanilino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[4-(diaminomethylideneamino)sulfonylanilino]-4-oxobutanoate Traditional Name: 4-(4-guanidinosulfonylanilino)-4-keto-butyric acid methyl ester Formula: C12H16N4O5S MolecularWeight: 328.34424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NC1=CC=C(C=C1)S(=O)(=O)N=C(N)N

Isomeric SMILES

COC(=O)CCC(=O)NC1=CC=C(C=C1)S(=O)(=O)N=C(N)N

InChI

InChI=1S/C12H16N4O5S/c1-21-11(18)7-6-10(17)15-8-2-4-9(5-3-8)22(19,20)16-12(13)14/h2-5H,6-7H2,1H3,(H,15,17)(H4,13,14,16)