[3-(6-azanyl-6-azanylidene-hexoxy)-5-methyl-phenyl] 2-chloranylbenzenesulfonate

Systemtic Name: [3-(6-azanyl-6-azanylidene-hexoxy)-5-methyl-phenyl] 2-chloranylbenzenesulfonate Openeye Name: [3-(6-amino-6-imino-hexoxy)-5-methyl-phenyl] 2-chlorobenzenesulfonate CAS Name: 2-chlorobenzenesulfonic acid [3-(6-amino-6-iminohexoxy)-5-methylphenyl] ester IUPAC Name: [3-(6-amino-6-iminohexoxy)-5-methylphenyl] 2-chlorobenzenesulfonate Traditional Name: 2-chlorobenzenesulfonic acid [3-(6-amino-6-imino-hexoxy)-5-methyl-phenyl] ester Formula: C19H23ClN2O4S MolecularWeight: 410.91492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2Cl)OCCCCCC(=N)N

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2Cl)OCCCCCC(=N)N

InChI

InChI=1S/C19H23ClN2O4S/c1-14-11-15(25-10-6-2-3-9-19(21)22)13-16(12-14)26-27(23,24)18-8-5-4-7-17(18)20/h4-5,7-8,11-13H,2-3,6,9-10H2,1H3,(H3,21,22)