3-[[bis(azanyl)methylideneamino]-(3-methylphenoxy)amino]propyl 2-chloranylbenzenesulfonate

Systemtic Name: 3-[[bis(azanyl)methylideneamino]-(3-methylphenoxy)amino]propyl 2-chloranylbenzenesulfonate Openeye Name: 3-[guanidino-(3-methylphenoxy)amino]propyl 2-chlorobenzenesulfonate CAS Name: 2-chlorobenzenesulfonic acid 3-[(diaminomethylideneamino)-(3-methylphenoxy)amino]propyl ester IUPAC Name: 3-[(diaminomethylideneamino)-(3-methylphenoxy)amino]propyl 2-chlorobenzenesulfonate Traditional Name: 2-chlorobenzenesulfonic acid 3-[guanidino-(3-methylphenoxy)amino]propyl ester Formula: C17H21ClN4O4S MolecularWeight: 412.89104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)ON(CCCOS(=O)(=O)C2=CC=CC=C2Cl)N=C(N)N

Isomeric SMILES

CC1=CC(=CC=C1)ON(CCCOS(=O)(=O)C2=CC=CC=C2Cl)N=C(N)N

InChI

InChI=1S/C17H21ClN4O4S/c1-13-6-4-7-14(12-13)26-22(21-17(19)20)10-5-11-25-27(23,24)16-9-3-2-8-15(16)18/h2-4,6-9,12H,5,10-11H2,1H3,(H4,19,20,21)