3-chloranyl-N-(2-ethoxy-5-morpholin-4-ylsulfonyl-phenyl)adamantane-1-carboxamide

Systemtic Name: 3-chloranyl-N-(2-ethoxy-5-morpholin-4-ylsulfonyl-phenyl)adamantane-1-carboxamide Openeye Name: 3-chloro-N-(2-ethoxy-5-morpholinosulfonyl-phenyl)adamantane-1-carboxamide CAS Name: 3-chloro-N-[2-ethoxy-5-(4-morpholinylsulfonyl)phenyl]-1-adamantanecarboxamide IUPAC Name: 3-chloro-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)adamantane-1-carboxamide Traditional Name: 3-chloro-N-(2-ethoxy-5-morpholinosulfonyl-phenyl)adamantane-1-carboxamide Formula: C23H31ClN2O5S MolecularWeight: 483.02064

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C34CC5CC(C3)CC(C5)(C4)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C34CC5CC(C3)CC(C5)(C4)Cl

InChI

InChI=1S/C23H31ClN2O5S/c1-2-31-20-4-3-18(32(28,29)26-5-7-30-8-6-26)10-19(20)25-21(27)22-11-16-9-17(12-22)14-23(24,13-16)15-22/h3-4,10,16-17H,2,5-9,11-15H2,1H3,(H,25,27)