ethyl 1-ethyl-2-methyl-5-oxidanyl-4-(phenylsulfonyl)indole-3-carboxylate

Systemtic Name: ethyl 1-ethyl-2-methyl-5-oxidanyl-4-(phenylsulfonyl)indole-3-carboxylate Openeye Name: ethyl 4-(benzenesulfonyl)-1-ethyl-5-hydroxy-2-methyl-indole-3-carboxylate CAS Name: 4-(benzenesulfonyl)-1-ethyl-5-hydroxy-2-methyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(benzenesulfonyl)-1-ethyl-5-hydroxy-2-methylindole-3-carboxylate Traditional Name: 4-besyl-1-ethyl-5-hydroxy-2-methyl-indole-3-carboxylic acid ethyl ester Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C2=C1C=CC(=C2S(=O)(=O)C3=CC=CC=C3)O)C(=O)OCC)C

Isomeric SMILES

CCN1C(=C(C2=C1C=CC(=C2S(=O)(=O)C3=CC=CC=C3)O)C(=O)OCC)C

InChI

InChI=1S/C20H21NO5S/c1-4-21-13(3)17(20(23)26-5-2)18-15(21)11-12-16(22)19(18)27(24,25)14-9-7-6-8-10-14/h6-12,22H,4-5H2,1-3H3