5-chloranyl-3-[(2,6-dimethyl-4-methylsulfonyl-phenyl)amino]-1-(1-methoxybutan-2-yl)pyrazin-2-one

Systemtic Name: 5-chloranyl-3-[(2,6-dimethyl-4-methylsulfonyl-phenyl)amino]-1-(1-methoxybutan-2-yl)pyrazin-2-one Openeye Name: 5-chloro-3-(2,6-dimethyl-4-methylsulfonyl-anilino)-1-[1-(methoxymethyl)propyl]pyrazin-2-one CAS Name: 5-chloro-3-(2,6-dimethyl-4-methylsulfonylanilino)-1-(1-methoxybutan-2-yl)-2-pyrazinone IUPAC Name: 5-chloro-3-(2,6-dimethyl-4-methylsulfonylanilino)-1-(1-methoxybutan-2-yl)pyrazin-2-one Traditional Name: 5-chloro-3-(4-mesyl-2,6-dimethyl-anilino)-1-[1-(methoxymethyl)propyl]pyrazin-2-one Formula: C18H24ClN3O4S MolecularWeight: 413.91886

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COC)N1C=C(N=C(C1=O)NC2=C(C=C(C=C2C)S(=O)(=O)C)C)Cl

Isomeric SMILES

CCC(COC)N1C=C(N=C(C1=O)NC2=C(C=C(C=C2C)S(=O)(=O)C)C)Cl

InChI

InChI=1S/C18H24ClN3O4S/c1-6-13(10-26-4)22-9-15(19)20-17(18(22)23)21-16-11(2)7-14(8-12(16)3)27(5,24)25/h7-9,13H,6,10H2,1-5H3,(H,20,21)