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

Systemtic Name: ethyl 2-(1-adamantylsulfonylmethyl)-6-bromanyl-1-methyl-4-[(2-methylimidazol-1-yl)methyl]-5-oxidanyl-indole-3-carboxylate Openeye Name: ethyl 2-(1-adamantylsulfonylmethyl)-6-bromo-5-hydroxy-1-methyl-4-[(2-methylimidazol-1-yl)methyl]indole-3-carboxylate CAS Name: 2-(1-adamantylsulfonylmethyl)-6-bromo-5-hydroxy-1-methyl-4-[(2-methyl-1-imidazolyl)methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(1-adamantylsulfonylmethyl)-6-bromo-5-hydroxy-1-methyl-4-[(2-methylimidazol-1-yl)methyl]indole-3-carboxylate Traditional Name: 2-(1-adamantylsulfonylmethyl)-6-bromo-5-hydroxy-1-methyl-4-[(2-methylimidazol-1-yl)methyl]indole-3-carboxylic acid ethyl ester Formula: C28H34BrN3O5S MolecularWeight: 604.55566

Click to see the large picture

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)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN3C=CN=C3C)O)Br)C)CS(=O)(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H34BrN3O5S/c1-4-37-27(34)25-23(15-38(35,36)28-11-17-7-18(12-28)9-19(8-17)13-28)31(3)22-10-21(29)26(33)20(24(22)25)14-32-6-5-30-16(32)2/h5-6,10,17-19,33H,4,7-9,11-15H2,1-3H3