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

Systemtic Name: N-[bis(azanyl)methylidene]-4-(2-cyclohexylethynyl)-3-methylsulfonyl-benzamide hydrochloride Openeye Name: 4-(2-cyclohexylethynyl)-N-(diaminomethylene)-3-methylsulfonyl-benzamide hydrochloride CAS Name: 4-(2-cyclohexylethynyl)-N-(diaminomethylidene)-3-methylsulfonylbenzamide hydrochloride IUPAC Name: 4-(2-cyclohexylethynyl)-N-(diaminomethylidene)-3-methylsulfonylbenzamide hydrochloride Traditional Name: 4-(2-cyclohexylethynyl)-N-(diaminomethylene)-3-mesyl-benzamide hydrochloride Formula: C17H22ClN3O3S MolecularWeight: 383.89288

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)N=C(N)N)C#CC2CCCCC2.Cl

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)N=C(N)N)C#CC2CCCCC2.Cl

InChI

InChI=1S/C17H21N3O3S.ClH/c1-24(22,23)15-11-14(16(21)20-17(18)19)10-9-13(15)8-7-12-5-3-2-4-6-12;/h9-12H,2-6H2,1H3,(H4,18,19,20,21);1H