(5S,7R)-3-acetamido-N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-acetamido-N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)adamantane-1-carboxamide Openeye Name: (5S,7R)-3-acetamido-N-[2-methyl-5-(1-piperidylsulfonyl)phenyl]adamantane-1-carboxamide CAS Name: (5S,7R)-3-acetamido-N-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-acetamido-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)adamantane-1-carboxamide Traditional Name: (5S,7R)-3-acetamido-N-(2-methyl-5-piperidinosulfonyl-phenyl)adamantane-1-carboxamide Formula: C25H35N3O4S MolecularWeight: 473.6281

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C34CC5CC(C3)CC(C5)(C4)NC(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)NC(=O)C

InChI

InChI=1S/C25H35N3O4S/c1-17-6-7-21(33(31,32)28-8-4-3-5-9-28)11-22(17)26-23(30)24-12-19-10-20(13-24)15-25(14-19,16-24)27-18(2)29/h6-7,11,19-20H,3-5,8-10,12-16H2,1-2H3,(H,26,30)(H,27,29)/t19-,20+,24?,25?