4-(azocan-1-yl)-N-[bis(azanyl)methylidene]-3-methylsulfonyl-benzamide hydrochloride

Systemtic Name: 4-(azocan-1-yl)-N-[bis(azanyl)methylidene]-3-methylsulfonyl-benzamide hydrochloride Openeye Name: 4-(azocan-1-yl)-N-(diaminomethylene)-3-methylsulfonyl-benzamide hydrochloride CAS Name: 4-(1-azocanyl)-N-(diaminomethylidene)-3-methylsulfonylbenzamide hydrochloride IUPAC Name: 4-(azocan-1-yl)-N-(diaminomethylidene)-3-methylsulfonylbenzamide hydrochloride Traditional Name: 4-(azocan-1-yl)-N-(diaminomethylene)-3-mesyl-benzamide hydrochloride Formula: C16H25ClN4O3S MolecularWeight: 388.9127

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)N=C(N)N)N2CCCCCCC2.Cl

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)N=C(N)N)N2CCCCCCC2.Cl

InChI

InChI=1S/C16H24N4O3S.ClH/c1-24(22,23)14-11-12(15(21)19-16(17)18)7-8-13(14)20-9-5-3-2-4-6-10-20;/h7-8,11H,2-6,9-10H2,1H3,(H4,17,18,19,21);1H