N-[bis(azanyl)methylidene]-3-methylsulfonyl-4-propan-2-yl-benzamide; methanesulfonate

Systemtic Name: N-[bis(azanyl)methylidene]-3-methylsulfonyl-4-propan-2-yl-benzamide; methanesulfonate Openeye Name: N-(diaminomethylene)-4-isopropyl-3-methylsulfonyl-benzamide; methanesulfonate CAS Name: N-(diaminomethylidene)-3-methylsulfonyl-4-propan-2-ylbenzamide; methanesulfonate IUPAC Name: N-(diaminomethylidene)-3-methylsulfonyl-4-propan-2-ylbenzamide; methanesulfonate Traditional Name: N-(diaminomethylene)-4-isopropyl-3-mesyl-benzamide mesylate Formula: C13H20N3O6S2- MolecularWeight: 378.4444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=C(C=C1)C(=O)N=C(N)N)S(=O)(=O)C.CS(=O)(=O)[O-]

Isomeric SMILES

CC(C)C1=C(C=C(C=C1)C(=O)N=C(N)N)S(=O)(=O)C.CS(=O)(=O)[O-]

InChI

InChI=1S/C12H17N3O3S.CH4O3S/c1-7(2)9-5-4-8(11(16)15-12(13)14)6-10(9)19(3,17)18;1-5(2,3)4/h4-7H,1-3H3,(H4,13,14,15,16);1H3,(H,2,3,4)/p-1