[azanyl-[[azanyl(ethylazaniumylidene)methyl]sulfanyl-methylsulfonyl-amino]sulfanyl-methylidene]-ethyl-azanium; 4-methylbenzenesulfonate

Systemtic Name: [azanyl-[[azanyl(ethylazaniumylidene)methyl]sulfanyl-methylsulfonyl-amino]sulfanyl-methylidene]-ethyl-azanium; 4-methylbenzenesulfonate Openeye Name: [amino-[[amino(ethyliminio)methyl]sulfanyl-methylsulfonyl-amino]sulfanyl-methylene]-ethyl-ammonium; 4-methylbenzenesulfonate CAS Name: [amino-[[[[amino(ethyliminio)methyl]thio]-methylsulfonylamino]thio]methylidene]-ethylammonium; 4-methylbenzenesulfonate IUPAC Name: [amino-[[amino(ethylazaniumylidene)methyl]sulfanyl-methylsulfonylamino]sulfanylmethylidene]-ethylazanium; 4-methylbenzenesulfonate Traditional Name: [amino-[[[[amino(ethyliminio)methyl]thio]-mesyl-amino]thio]methylene]-ethyl-ammonium ditosylate Formula: C21H33N5O8S5 MolecularWeight: 643.84042

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]=C(N)SN(SC(=[NH+]CC)N)S(=O)(=O)C.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC[NH+]=C(N)SN(SC(=[NH+]CC)N)S(=O)(=O)C.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C7H17N5O2S3.2C7H8O3S/c1-4-10-6(8)15-12(17(3,13)14)16-7(9)11-5-2;2*1-6-2-4-7(5-3-6)11(8,9)10/h4-5H2,1-3H3,(H2,8,10)(H2,9,11);2*2-5H,1H3,(H,8,9,10)