(4-bromanyl-2,5-dimethoxy-phenyl)methyl 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate

Systemtic Name: (4-bromanyl-2,5-dimethoxy-phenyl)methyl 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate Openeye Name: (4-bromo-2,5-dimethoxy-phenyl)methyl 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate CAS Name: 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoic acid (4-bromo-2,5-dimethoxyphenyl)methyl ester IUPAC Name: (4-bromo-2,5-dimethoxyphenyl)methyl 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate Traditional Name: 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoic acid (4-bromo-2,5-dimethoxy-benzyl) ester Formula: C25H24BrNO6S MolecularWeight: 546.43016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC4=CC=CC=C43)OC)Br

Isomeric SMILES

COC1=CC(=C(C=C1COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC4=CC=CC=C43)OC)Br

InChI

InChI=1S/C25H24BrNO6S/c1-31-23-15-21(26)24(32-2)14-19(23)16-33-25(28)18-9-11-20(12-10-18)34(29,30)27-13-5-7-17-6-3-4-8-22(17)27/h3-4,6,8-12,14-15H,5,7,13,16H2,1-2H3