bis(azanyl)methylidene-[5-methoxy-4-[(4-methylphenyl)sulfonylamino]-5-oxidanylidene-pentyl]azanium chloride

Systemtic Name: bis(azanyl)methylidene-[5-methoxy-4-[(4-methylphenyl)sulfonylamino]-5-oxidanylidene-pentyl]azanium chloride Openeye Name: diaminomethylene-[5-methoxy-5-oxo-4-(p-tolylsulfonylamino)pentyl]ammonium chloride CAS Name: diaminomethylidene-[5-methoxy-4-[(4-methylphenyl)sulfonylamino]-5-oxopentyl]ammonium chloride IUPAC Name: diaminomethylidene-[5-methoxy-4-[(4-methylphenyl)sulfonylamino]-5-oxopentyl]azanium chloride Traditional Name: diaminomethylene-[5-keto-5-methoxy-4-(tosylamino)pentyl]ammonium chloride Formula: C14H23ClN4O4S MolecularWeight: 378.87482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCC[NH+]=C(N)N)C(=O)OC.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCC[NH+]=C(N)N)C(=O)OC.[Cl-]

InChI

InChI=1S/C14H22N4O4S.ClH/c1-10-5-7-11(8-6-10)23(20,21)18-12(13(19)22-2)4-3-9-17-14(15)16;/h5-8,12,18H,3-4,9H2,1-2H3,(H4,15,16,17);1H