(5S,7R)-3-chloranyl-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxy-phenyl)adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-chloranyl-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxy-phenyl)adamantane-1-carboxamide Openeye Name: (5S,7R)-3-chloro-N-[2-isopropoxy-5-(1-piperidylsulfonyl)phenyl]adamantane-1-carboxamide CAS Name: (5S,7R)-3-chloro-N-[5-(1-piperidinylsulfonyl)-2-propan-2-yloxyphenyl]-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-chloro-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)adamantane-1-carboxamide Traditional Name: (5S,7R)-3-chloro-N-(2-isopropoxy-5-piperidinosulfonyl-phenyl)adamantane-1-carboxamide Formula: C25H35ClN2O4S MolecularWeight: 495.0744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C34CC5CC(C3)CC(C5)(C4)Cl

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)Cl

InChI

InChI=1S/C25H35ClN2O4S/c1-17(2)32-22-7-6-20(33(30,31)28-8-4-3-5-9-28)11-21(22)27-23(29)24-12-18-10-19(13-24)15-25(26,14-18)16-24/h6-7,11,17-19H,3-5,8-10,12-16H2,1-2H3,(H,27,29)/t18-,19+,24?,25?