ethyl 6-bromanyl-1-methyl-4-[(2-methylimidazol-1-yl)methyl]-5-oxidanyl-2-(phenylsulfonylmethyl)indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-1-methyl-4-[(2-methylimidazol-1-yl)methyl]-5-oxidanyl-2-(phenylsulfonylmethyl)indole-3-carboxylate Openeye Name: ethyl 2-(benzenesulfonylmethyl)-6-bromo-5-hydroxy-1-methyl-4-[(2-methylimidazol-1-yl)methyl]indole-3-carboxylate CAS Name: 2-(benzenesulfonylmethyl)-6-bromo-5-hydroxy-1-methyl-4-[(2-methyl-1-imidazolyl)methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(benzenesulfonylmethyl)-6-bromo-5-hydroxy-1-methyl-4-[(2-methylimidazol-1-yl)methyl]indole-3-carboxylate Traditional Name: 2-(besylmethyl)-6-bromo-5-hydroxy-1-methyl-4-[(2-methylimidazol-1-yl)methyl]indole-3-carboxylic acid ethyl ester Formula: C24H24BrN3O5S MolecularWeight: 546.43346

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN3C=CN=C3C)O)Br)C)CS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN3C=CN=C3C)O)Br)C)CS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H24BrN3O5S/c1-4-33-24(30)22-20(14-34(31,32)16-8-6-5-7-9-16)27(3)19-12-18(25)23(29)17(21(19)22)13-28-11-10-26-15(28)2/h5-12,29H,4,13-14H2,1-3H3