(5S,7R)-3-chloranyl-N-(4-methoxy-2-morpholin-4-ylsulfonyl-phenyl)adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-chloranyl-N-(4-methoxy-2-morpholin-4-ylsulfonyl-phenyl)adamantane-1-carboxamide Openeye Name: (5S,7R)-3-chloro-N-(4-methoxy-2-morpholinosulfonyl-phenyl)adamantane-1-carboxamide CAS Name: (5S,7R)-3-chloro-N-[4-methoxy-2-(4-morpholinylsulfonyl)phenyl]-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-chloro-N-(4-methoxy-2-morpholin-4-ylsulfonylphenyl)adamantane-1-carboxamide Traditional Name: (5S,7R)-3-chloro-N-(4-methoxy-2-morpholinosulfonyl-phenyl)adamantane-1-carboxamide Formula: C22H29ClN2O5S MolecularWeight: 468.99406

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)C23CC4CC(C2)CC(C4)(C3)Cl)S(=O)(=O)N5CCOCC5

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Cl)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C22H29ClN2O5S/c1-29-17-2-3-18(19(9-17)31(27,28)25-4-6-30-7-5-25)24-20(26)21-10-15-8-16(11-21)13-22(23,12-15)14-21/h2-3,9,15-16H,4-8,10-14H2,1H3,(H,24,26)/t15-,16+,21?,22?