N-[1-[2,5-bis(oxidanylidene)cyclohex-3-en-1-yl]-2-phenyl-ethyl]octane-4-sulfonamide

Systemtic Name: N-[1-[2,5-bis(oxidanylidene)cyclohex-3-en-1-yl]-2-phenyl-ethyl]octane-4-sulfonamide Openeye Name: N-[1-(2,5-dioxocyclohex-3-en-1-yl)-2-phenyl-ethyl]octane-4-sulfonamide CAS Name: N-[1-(2,5-dioxo-1-cyclohex-3-enyl)-2-phenylethyl]-4-octanesulfonamide IUPAC Name: N-[1-(2,5-dioxocyclohex-3-en-1-yl)-2-phenylethyl]octane-4-sulfonamide Traditional Name: N-[1-(2,5-diketocyclohex-3-en-1-yl)-2-phenyl-ethyl]octane-4-sulfonamide Formula: C22H31NO4S MolecularWeight: 405.55084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC)S(=O)(=O)NC(CC1=CC=CC=C1)C2CC(=O)C=CC2=O

Isomeric SMILES

CCCCC(CCC)S(=O)(=O)NC(CC1=CC=CC=C1)C2CC(=O)C=CC2=O

InChI

InChI=1S/C22H31NO4S/c1-3-5-12-19(9-4-2)28(26,27)23-21(15-17-10-7-6-8-11-17)20-16-18(24)13-14-22(20)25/h6-8,10-11,13-14,19-21,23H,3-5,9,12,15-16H2,1-2H3