3-chloranyl-N-(4-cyclopentylsulfonylphenyl)adamantane-1-carboxamide

Systemtic Name: 3-chloranyl-N-(4-cyclopentylsulfonylphenyl)adamantane-1-carboxamide Openeye Name: 3-chloro-N-(4-cyclopentylsulfonylphenyl)adamantane-1-carboxamide CAS Name: 3-chloro-N-(4-cyclopentylsulfonylphenyl)-1-adamantanecarboxamide IUPAC Name: 3-chloro-N-(4-cyclopentylsulfonylphenyl)adamantane-1-carboxamide Traditional Name: 3-chloro-N-(4-cyclopentylsulfonylphenyl)adamantane-1-carboxamide Formula: C22H28ClNO3S MolecularWeight: 421.98062

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)(C4)Cl

Isomeric SMILES

C1CCC(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)(C4)Cl

InChI

InChI=1S/C22H28ClNO3S/c23-22-12-15-9-16(13-22)11-21(10-15,14-22)20(25)24-17-5-7-19(8-6-17)28(26,27)18-3-1-2-4-18/h5-8,15-16,18H,1-4,9-14H2,(H,24,25)