N-(1-adamantyl)-4-methoxy-3-(2-oxidanylidenepyrrolidin-1-yl)benzenesulfonamide

Systemtic Name: N-(1-adamantyl)-4-methoxy-3-(2-oxidanylidenepyrrolidin-1-yl)benzenesulfonamide Openeye Name: N-(1-adamantyl)-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide CAS Name: N-(1-adamantyl)-4-methoxy-3-(2-oxo-1-pyrrolidinyl)benzenesulfonamide IUPAC Name: N-(1-adamantyl)-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide Traditional Name: N-(1-adamantyl)-3-(2-ketopyrrolidino)-4-methoxy-benzenesulfonamide Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NC23CC4CC(C2)CC(C4)C3)N5CCCC5=O

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NC23CC4CC(C2)CC(C4)C3)N5CCCC5=O

InChI

InChI=1S/C21H28N2O4S/c1-27-19-5-4-17(10-18(19)23-6-2-3-20(23)24)28(25,26)22-21-11-14-7-15(12-21)9-16(8-14)13-21/h4-5,10,14-16,22H,2-3,6-9,11-13H2,1H3