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

Systemtic Name: N-[bis(azanyl)methylidene]-2-methyl-4,5-bis(methylsulfonyl)benzamide hydrate Openeye Name: N-(diaminomethylene)-2-methyl-4,5-bis(methylsulfonyl)benzamide hydrate CAS Name: N-(diaminomethylidene)-2-methyl-4,5-bis(methylsulfonyl)benzamide hydrate IUPAC Name: N-(diaminomethylidene)-2-methyl-4,5-bis(methylsulfonyl)benzamide hydrate Traditional Name: N-(diaminomethylene)-4,5-dimesyl-2-methyl-benzamide hydrate Formula: C11H17N3O6S2 MolecularWeight: 351.39918

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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.O

Isomeric SMILES

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

InChI

InChI=1S/C11H15N3O5S2.H2O/c1-6-4-8(20(2,16)17)9(21(3,18)19)5-7(6)10(15)14-11(12)13;/h4-5H,1-3H3,(H4,12,13,14,15);1H2