[3-[3-[bis(azanyl)methylideneamino]propoxy]-5-methyl-phenyl] 2-chloranylbenzenesulfonate

Systemtic Name: [3-[3-[bis(azanyl)methylideneamino]propoxy]-5-methyl-phenyl] 2-chloranylbenzenesulfonate Openeye Name: [3-(3-guanidinopropoxy)-5-methyl-phenyl] 2-chlorobenzenesulfonate CAS Name: 2-chlorobenzenesulfonic acid [3-[3-(diaminomethylideneamino)propoxy]-5-methylphenyl] ester IUPAC Name: [3-[3-(diaminomethylideneamino)propoxy]-5-methylphenyl] 2-chlorobenzenesulfonate Traditional Name: 2-chlorobenzenesulfonic acid [3-(3-guanidinopropoxy)-5-methyl-phenyl] ester Formula: C17H20ClN3O4S MolecularWeight: 397.8764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2Cl)OCCCN=C(N)N

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2Cl)OCCCN=C(N)N

InChI

InChI=1S/C17H20ClN3O4S/c1-12-9-13(24-8-4-7-21-17(19)20)11-14(10-12)25-26(22,23)16-6-3-2-5-15(16)18/h2-3,5-6,9-11H,4,7-8H2,1H3,(H4,19,20,21)