methyl 5-bromanyl-2-[[4-(4-bromanylbut-2-ynoxy)phenyl]sulfonyl-methyl-amino]-3-methyl-benzoate

Systemtic Name: methyl 5-bromanyl-2-[[4-(4-bromanylbut-2-ynoxy)phenyl]sulfonyl-methyl-amino]-3-methyl-benzoate Openeye Name: methyl 5-bromo-2-[[4-(4-bromobut-2-ynoxy)phenyl]sulfonyl-methyl-amino]-3-methyl-benzoate CAS Name: 5-bromo-2-[[4-(4-bromobut-2-ynoxy)phenyl]sulfonyl-methylamino]-3-methylbenzoic acid methyl ester IUPAC Name: methyl 5-bromo-2-[[4-(4-bromobut-2-ynoxy)phenyl]sulfonyl-methylamino]-3-methylbenzoate Traditional Name: 5-bromo-2-[[4-(4-bromobut-2-ynoxy)phenyl]sulfonyl-methyl-amino]-3-methyl-benzoic acid methyl ester Formula: C20H19Br2NO5S MolecularWeight: 545.24156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)Br)C(=O)OC)N(C)S(=O)(=O)C2=CC=C(C=C2)OCC#CCBr

Isomeric SMILES

CC1=C(C(=CC(=C1)Br)C(=O)OC)N(C)S(=O)(=O)C2=CC=C(C=C2)OCC#CCBr

InChI

InChI=1S/C20H19Br2NO5S/c1-14-12-15(22)13-18(20(24)27-3)19(14)23(2)29(25,26)17-8-6-16(7-9-17)28-11-5-4-10-21/h6-9,12-13H,10-11H2,1-3H3