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

Systemtic Name: [3-[5-[bis(azanyl)methylideneamino]pentoxy]-5-methyl-phenyl] 2-chloranylbenzenesulfonate Openeye Name: [3-(5-guanidinopentoxy)-5-methyl-phenyl] 2-chlorobenzenesulfonate CAS Name: 2-chlorobenzenesulfonic acid [3-[5-(diaminomethylideneamino)pentoxy]-5-methylphenyl] ester IUPAC Name: [3-[5-(diaminomethylideneamino)pentoxy]-5-methylphenyl] 2-chlorobenzenesulfonate Traditional Name: 2-chlorobenzenesulfonic acid [3-(5-guanidinopentoxy)-5-methyl-phenyl] ester Formula: C19H24ClN3O4S MolecularWeight: 425.92956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24ClN3O4S/c1-14-11-15(26-10-6-2-5-9-23-19(21)22)13-16(12-14)27-28(24,25)18-8-4-3-7-17(18)20/h3-4,7-8,11-13H,2,5-6,9-10H2,1H3,(H4,21,22,23)