2-(3-bromanyl-1-adamantyl)-N-(4-chloranyl-3-morpholin-4-ylsulfonyl-phenyl)ethanamide

Systemtic Name: 2-(3-bromanyl-1-adamantyl)-N-(4-chloranyl-3-morpholin-4-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-(3-bromo-1-adamantyl)-N-(4-chloro-3-morpholinosulfonyl-phenyl)acetamide CAS Name: 2-(3-bromo-1-adamantyl)-N-[4-chloro-3-(4-morpholinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(3-bromo-1-adamantyl)-N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)acetamide Traditional Name: 2-(3-bromo-1-adamantyl)-N-(4-chloro-3-morpholinosulfonyl-phenyl)acetamide Formula: C22H28BrClN2O4S MolecularWeight: 531.89072

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)NC(=O)CC34CC5CC(C3)CC(C5)(C4)Br)Cl

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)NC(=O)CC34CC5CC(C3)CC(C5)(C4)Br)Cl

InChI

InChI=1S/C22H28BrClN2O4S/c23-22-11-15-7-16(12-22)10-21(9-15,14-22)13-20(27)25-17-1-2-18(24)19(8-17)31(28,29)26-3-5-30-6-4-26/h1-2,8,15-16H,3-7,9-14H2,(H,25,27)