ethyl 3-(bromomethyl)-1-(phenylsulfonyl)indole-2-carboxylate

Systemtic Name: ethyl 3-(bromomethyl)-1-(phenylsulfonyl)indole-2-carboxylate Openeye Name: ethyl 1-(benzenesulfonyl)-3-(bromomethyl)indole-2-carboxylate CAS Name: 1-(benzenesulfonyl)-3-(bromomethyl)-2-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(benzenesulfonyl)-3-(bromomethyl)indole-2-carboxylate Traditional Name: 1-besyl-3-(bromomethyl)indole-2-carboxylic acid ethyl ester Formula: C18H16BrNO4S MolecularWeight: 422.29294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N1S(=O)(=O)C3=CC=CC=C3)CBr

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N1S(=O)(=O)C3=CC=CC=C3)CBr

InChI

InChI=1S/C18H16BrNO4S/c1-2-24-18(21)17-15(12-19)14-10-6-7-11-16(14)20(17)25(22,23)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3