iodanylmethyl 2-(1-adamantylsulfinyl)-6-bromanyl-1-ethyl-4-(morpholin-4-ylmethyl)-5-oxidanyl-indole-3-carboxylate

Systemtic Name: iodanylmethyl 2-(1-adamantylsulfinyl)-6-bromanyl-1-ethyl-4-(morpholin-4-ylmethyl)-5-oxidanyl-indole-3-carboxylate Openeye Name: iodomethyl 2-(1-adamantylsulfinyl)-6-bromo-1-ethyl-5-hydroxy-4-(morpholinomethyl)indole-3-carboxylate CAS Name: 2-(1-adamantylsulfinyl)-6-bromo-1-ethyl-5-hydroxy-4-(4-morpholinylmethyl)-3-indolecarboxylic acid iodomethyl ester IUPAC Name: iodomethyl 2-(1-adamantylsulfinyl)-6-bromo-1-ethyl-5-hydroxy-4-(morpholin-4-ylmethyl)indole-3-carboxylate Traditional Name: 2-(1-adamantylsulfinyl)-6-bromo-1-ethyl-5-hydroxy-4-(morpholinomethyl)indole-3-carboxylic acid iodomethyl ester Formula: C27H34BrIN2O5S MolecularWeight: 705.44273

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC(=C(C(=C2C(=C1S(=O)C34CC5CC(C3)CC(C5)C4)C(=O)OCI)CN6CCOCC6)O)Br

Isomeric SMILES

CCN1C2=CC(=C(C(=C2C(=C1S(=O)C34CC5CC(C3)CC(C5)C4)C(=O)OCI)CN6CCOCC6)O)Br

InChI

InChI=1S/C27H34BrIN2O5S/c1-2-31-21-10-20(28)24(32)19(14-30-3-5-35-6-4-30)22(21)23(26(33)36-15-29)25(31)37(34)27-11-16-7-17(12-27)9-18(8-16)13-27/h10,16-18,32H,2-9,11-15H2,1H3