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

Systemtic Name: N-[bis(azanyl)methylidene]-2-methyl-4,5-bis(methylsulfonyl)benzamide; methanesulfonic acid Openeye Name: N-(diaminomethylene)-2-methyl-4,5-bis(methylsulfonyl)benzamide; methanesulfonic acid CAS Name: N-(diaminomethylidene)-2-methyl-4,5-bis(methylsulfonyl)benzamide; methanesulfonic acid IUPAC Name: N-(diaminomethylidene)-2-methyl-4,5-bis(methylsulfonyl)benzamide; methanesulfonic acid Traditional Name: N-(diaminomethylene)-4,5-dimesyl-2-methyl-benzamide; mesylic acid Formula: C12H19N3O8S3 MolecularWeight: 429.48956

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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.CS(=O)(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C11H15N3O5S2.CH4O3S/c1-6-4-8(20(2,16)17)9(21(3,18)19)5-7(6)10(15)14-11(12)13;1-5(2,3)4/h4-5H,1-3H3,(H4,12,13,14,15);1H3,(H,2,3,4)