[3-(4-azanyl-4-azanylidene-butoxy)-5-methyl-phenyl] 2-chloranylbenzenesulfonate hydrochloride

Systemtic Name: [3-(4-azanyl-4-azanylidene-butoxy)-5-methyl-phenyl] 2-chloranylbenzenesulfonate hydrochloride Openeye Name: [3-(4-amino-4-imino-butoxy)-5-methyl-phenyl] 2-chlorobenzenesulfonate hydrochloride CAS Name: 2-chlorobenzenesulfonic acid [3-(4-amino-4-iminobutoxy)-5-methylphenyl] ester hydrochloride IUPAC Name: [3-(4-amino-4-iminobutoxy)-5-methylphenyl] 2-chlorobenzenesulfonate hydrochloride Traditional Name: 2-chlorobenzenesulfonic acid [3-(4-amino-4-imino-butoxy)-5-methyl-phenyl] ester hydrochloride Formula: C17H20Cl2N2O4S MolecularWeight: 419.3227

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2Cl)OCCCC(=N)N.Cl

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2Cl)OCCCC(=N)N.Cl

InChI

InChI=1S/C17H19ClN2O4S.ClH/c1-12-9-13(23-8-4-7-17(19)20)11-14(10-12)24-25(21,22)16-6-3-2-5-15(16)18;/h2-3,5-6,9-11H,4,7-8H2,1H3,(H3,19,20);1H