methyl 2-[[2-bromanylprop-2-enyl(butyl)amino]methyl]-1-(4-methylphenyl)sulfonyl-indole-6-carboxylate

Systemtic Name: methyl 2-[[2-bromanylprop-2-enyl(butyl)amino]methyl]-1-(4-methylphenyl)sulfonyl-indole-6-carboxylate Openeye Name: methyl 2-[[2-bromoallyl(butyl)amino]methyl]-1-(p-tolylsulfonyl)indole-6-carboxylate CAS Name: 2-[[2-bromoprop-2-enyl(butyl)amino]methyl]-1-(4-methylphenyl)sulfonyl-6-indolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-bromoprop-2-enyl(butyl)amino]methyl]-1-(4-methylphenyl)sulfonylindole-6-carboxylate Traditional Name: 2-[[2-bromoallyl(butyl)amino]methyl]-1-tosyl-indole-6-carboxylic acid methyl ester Formula: C25H29BrN2O4S MolecularWeight: 533.47776

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC2=C(N1S(=O)(=O)C3=CC=C(C=C3)C)C=C(C=C2)C(=O)OC)CC(=C)Br

Isomeric SMILES

CCCCN(CC1=CC2=C(N1S(=O)(=O)C3=CC=C(C=C3)C)C=C(C=C2)C(=O)OC)CC(=C)Br

InChI

InChI=1S/C25H29BrN2O4S/c1-5-6-13-27(16-19(3)26)17-22-14-20-9-10-21(25(29)32-4)15-24(20)28(22)33(30,31)23-11-7-18(2)8-12-23/h7-12,14-15H,3,5-6,13,16-17H2,1-2,4H3