4-[2,6-bis(bromanyl)-4-methyl-phenyl]azanidylsulfonylbutanoate

Systemtic Name: 4-[2,6-bis(bromanyl)-4-methyl-phenyl]azanidylsulfonylbutanoate Openeye Name: 4-(2,6-dibromo-4-methyl-phenyl)azanidylsulfonylbutanoate CAS Name: 4-(2,6-dibromo-4-methylphenyl)azanidylsulfonylbutanoate IUPAC Name: 4-(2,6-dibromo-4-methylphenyl)azanidylsulfonylbutanoate Traditional Name: 4-(2,6-dibromo-4-methyl-phenyl)azanidylsulfonylbutyrate Formula: C11H11Br2NO4S-2 MolecularWeight: 413.08234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)[N-]S(=O)(=O)CCCC(=O)[O-])Br

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)[N-]S(=O)(=O)CCCC(=O)[O-])Br

InChI

InChI=1S/C11H12Br2NO4S/c1-7-5-8(12)11(9(13)6-7)14-19(17,18)4-2-3-10(15)16/h5-6H,2-4H2,1H3,(H,15,16)/q-1/p-1