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

Systemtic Name: (5S,7R)-3-chloranyl-N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)adamantane-1-carboxamide Openeye Name: (5S,7R)-3-chloro-N-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]adamantane-1-carboxamide CAS Name: (5S,7R)-3-chloro-N-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-chloro-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)adamantane-1-carboxamide Traditional Name: (5S,7R)-3-chloro-N-(4-methoxy-3-piperidinosulfonyl-phenyl)adamantane-1-carboxamide Formula: C23H31ClN2O4S MolecularWeight: 467.02124

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C23CC4CC(C2)CC(C4)(C3)Cl)S(=O)(=O)N5CCCCC5

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Cl)S(=O)(=O)N5CCCCC5

InChI

InChI=1S/C23H31ClN2O4S/c1-30-19-6-5-18(10-20(19)31(28,29)26-7-3-2-4-8-26)25-21(27)22-11-16-9-17(12-22)14-23(24,13-16)15-22/h5-6,10,16-17H,2-4,7-9,11-15H2,1H3,(H,25,27)/t16-,17+,22?,23?