ethyl 2-(acetamidomethyl)-1-(2-bromoethyl)-5-(4-methylphenyl)sulfonyloxy-indole-3-carboxylate

Systemtic Name: ethyl 2-(acetamidomethyl)-1-(2-bromoethyl)-5-(4-methylphenyl)sulfonyloxy-indole-3-carboxylate Openeye Name: ethyl 2-(acetamidomethyl)-1-(2-bromoethyl)-5-(p-tolylsulfonyloxy)indole-3-carboxylate CAS Name: 2-(acetamidomethyl)-1-(2-bromoethyl)-5-(4-methylphenyl)sulfonyloxy-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(acetamidomethyl)-1-(2-bromoethyl)-5-(4-methylphenyl)sulfonyloxyindole-3-carboxylate Traditional Name: 2-(acetamidomethyl)-1-(2-bromoethyl)-5-tosyloxy-indole-3-carboxylic acid ethyl ester Formula: C23H25BrN2O6S MolecularWeight: 537.4234

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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)CCBr)CNC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)C)CCBr)CNC(=O)C

InChI

InChI=1S/C23H25BrN2O6S/c1-4-31-23(28)22-19-13-17(32-33(29,30)18-8-5-15(2)6-9-18)7-10-20(19)26(12-11-24)21(22)14-25-16(3)27/h5-10,13H,4,11-12,14H2,1-3H3,(H,25,27)