3-[(1-tert-butyl-5-chloranyl-6-oxidanylidene-pyridazin-4-yl)amino]propyl 4-methylbenzenesulfonate

Systemtic Name: 3-[(1-tert-butyl-5-chloranyl-6-oxidanylidene-pyridazin-4-yl)amino]propyl 4-methylbenzenesulfonate Openeye Name: 3-[(1-tert-butyl-5-chloro-6-oxo-pyridazin-4-yl)amino]propyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-[(1-tert-butyl-5-chloro-6-oxo-4-pyridazinyl)amino]propyl ester IUPAC Name: 3-[(1-tert-butyl-5-chloro-6-oxopyridazin-4-yl)amino]propyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-[(1-tert-butyl-5-chloro-6-keto-pyridazin-4-yl)amino]propyl ester Formula: C18H24ClN3O4S MolecularWeight: 413.91886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCNC2=C(C(=O)N(N=C2)C(C)(C)C)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCNC2=C(C(=O)N(N=C2)C(C)(C)C)Cl

InChI

InChI=1S/C18H24ClN3O4S/c1-13-6-8-14(9-7-13)27(24,25)26-11-5-10-20-15-12-21-22(18(2,3)4)17(23)16(15)19/h6-9,12,20H,5,10-11H2,1-4H3