4-[[4-[bis(azanyl)methylideneazaniumylsulfonyl]phenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[4-[bis(azanyl)methylideneazaniumylsulfonyl]phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[4-(diaminomethyleneammoniosulfonyl)anilino]-4-oxo-butanoate CAS Name: 4-[4-(diaminomethylideneammoniosulfonyl)anilino]-4-oxobutanoate IUPAC Name: 4-[4-(diaminomethylideneazaniumylsulfonyl)anilino]-4-oxobutanoate Traditional Name: 4-[4-(diaminomethyleneammoniosulfonyl)anilino]-4-keto-butyrate Formula: C11H14N4O5S MolecularWeight: 314.31766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CCC(=O)[O-])S(=O)(=O)[NH+]=C(N)N

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CCC(=O)[O-])S(=O)(=O)[NH+]=C(N)N

InChI

InChI=1S/C11H14N4O5S/c12-11(13)15-21(19,20)8-3-1-7(2-4-8)14-9(16)5-6-10(17)18/h1-4H,5-6H2,(H,14,16)(H,17,18)(H4,12,13,15)