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

Systemtic Name: (5S,7R)-3-chloranyl-N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)adamantane-1-carboxamide Openeye Name: (5S,7R)-3-chloro-N-(4-methyl-3-morpholinosulfonyl-phenyl)adamantane-1-carboxamide CAS Name: (5S,7R)-3-chloro-N-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-chloro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)adamantane-1-carboxamide Traditional Name: (5S,7R)-3-chloro-N-(4-methyl-3-morpholinosulfonyl-phenyl)adamantane-1-carboxamide Formula: C22H29ClN2O4S MolecularWeight: 452.99466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C23CC4CC(C2)CC(C4)(C3)Cl)S(=O)(=O)N5CCOCC5

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Cl)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C22H29ClN2O4S/c1-15-2-3-18(9-19(15)30(27,28)25-4-6-29-7-5-25)24-20(26)21-10-16-8-17(11-21)13-22(23,12-16)14-21/h2-3,9,16-17H,4-8,10-14H2,1H3,(H,24,26)/t16-,17+,21?,22?