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

Systemtic Name: N-[bis(azanyl)methylidene]-4-(2-cyclohexylethanoyl)-3-methylsulfonyl-benzamide hydrochloride Openeye Name: 4-(2-cyclohexylacetyl)-N-(diaminomethylene)-3-methylsulfonyl-benzamide hydrochloride CAS Name: 4-(2-cyclohexyl-1-oxoethyl)-N-(diaminomethylidene)-3-methylsulfonylbenzamide hydrochloride IUPAC Name: 4-(2-cyclohexylacetyl)-N-(diaminomethylidene)-3-methylsulfonylbenzamide hydrochloride Traditional Name: 4-(2-cyclohexylacetyl)-N-(diaminomethylene)-3-mesyl-benzamide hydrochloride Formula: C17H24ClN3O4S MolecularWeight: 401.90816

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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(=O)CC2CCCCC2.Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O4S.ClH/c1-25(23,24)15-10-12(16(22)20-17(18)19)7-8-13(15)14(21)9-11-5-3-2-4-6-11;/h7-8,10-11H,2-6,9H2,1H3,(H4,18,19,20,22);1H