N-[bis(azanyl)methylidene]-3-methylsulfonyl-4-(2-oxidanylpropan-2-yl)benzamide hydrochloride

Systemtic Name: N-[bis(azanyl)methylidene]-3-methylsulfonyl-4-(2-oxidanylpropan-2-yl)benzamide hydrochloride Openeye Name: N-(diaminomethylene)-4-(1-hydroxy-1-methyl-ethyl)-3-methylsulfonyl-benzamide hydrochloride CAS Name: N-(diaminomethylidene)-4-(2-hydroxypropan-2-yl)-3-methylsulfonylbenzamide hydrochloride IUPAC Name: N-(diaminomethylidene)-4-(2-hydroxypropan-2-yl)-3-methylsulfonylbenzamide hydrochloride Traditional Name: N-(diaminomethylene)-4-(1-hydroxy-1-methyl-ethyl)-3-mesyl-benzamide hydrochloride Formula: C12H18ClN3O4S MolecularWeight: 335.80702

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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)O.Cl

Isomeric SMILES

CC(C)(C1=C(C=C(C=C1)C(=O)N=C(N)N)S(=O)(=O)C)O.Cl

InChI

InChI=1S/C12H17N3O4S.ClH/c1-12(2,17)8-5-4-7(10(16)15-11(13)14)6-9(8)20(3,18)19;/h4-6,17H,1-3H3,(H4,13,14,15,16);1H