3-chloranyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]adamantane-1-carboxamide

Systemtic Name: 3-chloranyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]adamantane-1-carboxamide Openeye Name: 3-chloro-N-[[4-(1-piperidylsulfonyl)phenyl]methyl]adamantane-1-carboxamide CAS Name: 3-chloro-N-[[4-(1-piperidinylsulfonyl)phenyl]methyl]-1-adamantanecarboxamide IUPAC Name: 3-chloro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]adamantane-1-carboxamide Traditional Name: 3-chloro-N-(4-piperidinosulfonylbenzyl)adamantane-1-carboxamide Formula: C23H31ClN2O3S MolecularWeight: 451.02184

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CNC(=O)C34CC5CC(C3)CC(C5)(C4)Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CNC(=O)C34CC5CC(C3)CC(C5)(C4)Cl

InChI

InChI=1S/C23H31ClN2O3S/c24-23-13-18-10-19(14-23)12-22(11-18,16-23)21(27)25-15-17-4-6-20(7-5-17)30(28,29)26-8-2-1-3-9-26/h4-7,18-19H,1-3,8-16H2,(H,25,27)