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

Systemtic Name: N-[bis(azanyl)methylidene]-3-methylsulfonyl-4-propan-2-yl-benzamide; methanesulfonic acid Openeye Name: N-(diaminomethylene)-4-isopropyl-3-methylsulfonyl-benzamide; methanesulfonic acid CAS Name: N-(diaminomethylidene)-3-methylsulfonyl-4-propan-2-ylbenzamide; methanesulfonic acid IUPAC Name: N-(diaminomethylidene)-3-methylsulfonyl-4-propan-2-ylbenzamide; methanesulfonic acid Traditional Name: N-(diaminomethylene)-4-isopropyl-3-mesyl-benzamide; mesylic acid Formula: C13H21N3O6S2 MolecularWeight: 379.45234

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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)