ethyl 1-(4-bromophenyl)-2-(dimethylaminomethyl)-5-(4-methylphenyl)sulfonyloxy-indole-3-carboxylate

Systemtic Name: ethyl 1-(4-bromophenyl)-2-(dimethylaminomethyl)-5-(4-methylphenyl)sulfonyloxy-indole-3-carboxylate Openeye Name: ethyl 1-(4-bromophenyl)-2-(dimethylaminomethyl)-5-(p-tolylsulfonyloxy)indole-3-carboxylate CAS Name: 1-(4-bromophenyl)-2-(dimethylaminomethyl)-5-(4-methylphenyl)sulfonyloxy-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-bromophenyl)-2-(dimethylaminomethyl)-5-(4-methylphenyl)sulfonyloxyindole-3-carboxylate Traditional Name: 1-(4-bromophenyl)-2-(dimethylaminomethyl)-5-tosyloxy-indole-3-carboxylic acid ethyl ester Formula: C27H27BrN2O5S MolecularWeight: 571.48268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)C)C4=CC=C(C=C4)Br)CN(C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)C)C4=CC=C(C=C4)Br)CN(C)C

InChI

InChI=1S/C27H27BrN2O5S/c1-5-34-27(31)26-23-16-21(35-36(32,33)22-13-6-18(2)7-14-22)12-15-24(23)30(25(26)17-29(3)4)20-10-8-19(28)9-11-20/h6-16H,5,17H2,1-4H3