ethyl 6-bromanyl-1-methyl-5-oxidanyl-2-(1-phenylethylsulfonylmethyl)-4-(pyrrolidin-1-ylmethyl)indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-1-methyl-5-oxidanyl-2-(1-phenylethylsulfonylmethyl)-4-(pyrrolidin-1-ylmethyl)indole-3-carboxylate Openeye Name: ethyl 6-bromo-5-hydroxy-1-methyl-2-(1-phenylethylsulfonylmethyl)-4-(pyrrolidin-1-ylmethyl)indole-3-carboxylate CAS Name: 6-bromo-5-hydroxy-1-methyl-2-(1-phenylethylsulfonylmethyl)-4-(1-pyrrolidinylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-5-hydroxy-1-methyl-2-(1-phenylethylsulfonylmethyl)-4-(pyrrolidin-1-ylmethyl)indole-3-carboxylate Traditional Name: 6-bromo-5-hydroxy-1-methyl-2-(1-phenylethylsulfonylmethyl)-4-(pyrrolidinomethyl)indole-3-carboxylic acid ethyl ester Formula: C26H31BrN2O5S MolecularWeight: 563.50374

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN3CCCC3)O)Br)C)CS(=O)(=O)C(C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN3CCCC3)O)Br)C)CS(=O)(=O)C(C)C4=CC=CC=C4

InChI

InChI=1S/C26H31BrN2O5S/c1-4-34-26(31)24-22(16-35(32,33)17(2)18-10-6-5-7-11-18)28(3)21-14-20(27)25(30)19(23(21)24)15-29-12-8-9-13-29/h5-7,10-11,14,17,30H,4,8-9,12-13,15-16H2,1-3H3