ethyl 6-bromanyl-5-methoxy-1-phenyl-2-(phenylsulfonylmethyl)indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-5-methoxy-1-phenyl-2-(phenylsulfonylmethyl)indole-3-carboxylate Openeye Name: ethyl 2-(benzenesulfonylmethyl)-6-bromo-5-methoxy-1-phenyl-indole-3-carboxylate CAS Name: 2-(benzenesulfonylmethyl)-6-bromo-5-methoxy-1-phenyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(benzenesulfonylmethyl)-6-bromo-5-methoxy-1-phenylindole-3-carboxylate Traditional Name: 2-(besylmethyl)-6-bromo-5-methoxy-1-phenyl-indole-3-carboxylic acid ethyl ester Formula: C25H22BrNO5S MolecularWeight: 528.41488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C3=CC=CC=C3)CS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C3=CC=CC=C3)CS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H22BrNO5S/c1-3-32-25(28)24-19-14-23(31-2)20(26)15-21(19)27(17-10-6-4-7-11-17)22(24)16-33(29,30)18-12-8-5-9-13-18/h4-15H,3,16H2,1-2H3