3-chloranyl-N-(2-ethoxy-5-piperidin-1-ylsulfonyl-phenyl)adamantane-1-carboxamide

Systemtic Name: 3-chloranyl-N-(2-ethoxy-5-piperidin-1-ylsulfonyl-phenyl)adamantane-1-carboxamide Openeye Name: 3-chloro-N-[2-ethoxy-5-(1-piperidylsulfonyl)phenyl]adamantane-1-carboxamide CAS Name: 3-chloro-N-[2-ethoxy-5-(1-piperidinylsulfonyl)phenyl]-1-adamantanecarboxamide IUPAC Name: 3-chloro-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)adamantane-1-carboxamide Traditional Name: 3-chloro-N-(2-ethoxy-5-piperidinosulfonyl-phenyl)adamantane-1-carboxamide Formula: C24H33ClN2O4S MolecularWeight: 481.04782

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C34CC5CC(C3)CC(C5)(C4)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C34CC5CC(C3)CC(C5)(C4)Cl

InChI

InChI=1S/C24H33ClN2O4S/c1-2-31-21-7-6-19(32(29,30)27-8-4-3-5-9-27)11-20(21)26-22(28)23-12-17-10-18(13-23)15-24(25,14-17)16-23/h6-7,11,17-18H,2-5,8-10,12-16H2,1H3,(H,26,28)