[3-[4-[bis(azanyl)methylideneamino]butoxy]-5-methyl-phenyl] 2-chloranylbenzenesulfonate

Systemtic Name: [3-[4-[bis(azanyl)methylideneamino]butoxy]-5-methyl-phenyl] 2-chloranylbenzenesulfonate Openeye Name: [3-(4-guanidinobutoxy)-5-methyl-phenyl] 2-chlorobenzenesulfonate CAS Name: 2-chlorobenzenesulfonic acid [3-[4-(diaminomethylideneamino)butoxy]-5-methylphenyl] ester IUPAC Name: [3-[4-(diaminomethylideneamino)butoxy]-5-methylphenyl] 2-chlorobenzenesulfonate Traditional Name: 2-chlorobenzenesulfonic acid [3-(4-guanidinobutoxy)-5-methyl-phenyl] ester Formula: C18H22ClN3O4S MolecularWeight: 411.90298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClN3O4S/c1-13-10-14(25-9-5-4-8-22-18(20)21)12-15(11-13)26-27(23,24)17-7-3-2-6-16(17)19/h2-3,6-7,10-12H,4-5,8-9H2,1H3,(H4,20,21,22)