N-[bis(azanyl)methylidene]-2-methyl-4,5-bis(methylsulfonyl)benzamide; 2-oxidanylbutanedioic acid

Systemtic Name: N-[bis(azanyl)methylidene]-2-methyl-4,5-bis(methylsulfonyl)benzamide; 2-oxidanylbutanedioic acid Openeye Name: N-(diaminomethylene)-2-methyl-4,5-bis(methylsulfonyl)benzamide; 2-hydroxybutanedioic acid CAS Name: N-(diaminomethylidene)-2-methyl-4,5-bis(methylsulfonyl)benzamide; 2-hydroxybutanedioic acid IUPAC Name: N-(diaminomethylidene)-2-methyl-4,5-bis(methylsulfonyl)benzamide; 2-hydroxybutanedioic acid Traditional Name: N-(diaminomethylene)-4,5-dimesyl-2-methyl-benzamide; malic acid Formula: C19H27N3O15S2 MolecularWeight: 601.55878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)N=C(N)N)S(=O)(=O)C)S(=O)(=O)C.C(C(C(=O)O)O)C(=O)O.C(C(C(=O)O)O)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)N=C(N)N)S(=O)(=O)C)S(=O)(=O)C.C(C(C(=O)O)O)C(=O)O.C(C(C(=O)O)O)C(=O)O

InChI

InChI=1S/C11H15N3O5S2.2C4H6O5/c1-6-4-8(20(2,16)17)9(21(3,18)19)5-7(6)10(15)14-11(12)13;2*5-2(4(8)9)1-3(6)7/h4-5H,1-3H3,(H4,12,13,14,15);2*2,5H,1H2,(H,6,7)(H,8,9)