ethyl 2-(diethylaminomethyl)-1-methyl-5-(4-methylphenyl)sulfonyloxy-indole-3-carboxylate

Systemtic Name: ethyl 2-(diethylaminomethyl)-1-methyl-5-(4-methylphenyl)sulfonyloxy-indole-3-carboxylate Openeye Name: ethyl 2-(diethylaminomethyl)-1-methyl-5-(p-tolylsulfonyloxy)indole-3-carboxylate CAS Name: 2-(diethylaminomethyl)-1-methyl-5-(4-methylphenyl)sulfonyloxy-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(diethylaminomethyl)-1-methyl-5-(4-methylphenyl)sulfonyloxyindole-3-carboxylate Traditional Name: 2-(diethylaminomethyl)-1-methyl-5-tosyloxy-indole-3-carboxylic acid ethyl ester Formula: C24H30N2O5S MolecularWeight: 458.5704

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=C(C2=C(N1C)C=CC(=C2)OS(=O)(=O)C3=CC=C(C=C3)C)C(=O)OCC

Isomeric SMILES

CCN(CC)CC1=C(C2=C(N1C)C=CC(=C2)OS(=O)(=O)C3=CC=C(C=C3)C)C(=O)OCC

InChI

InChI=1S/C24H30N2O5S/c1-6-26(7-2)16-22-23(24(27)30-8-3)20-15-18(11-14-21(20)25(22)5)31-32(28,29)19-12-9-17(4)10-13-19/h9-15H,6-8,16H2,1-5H3