4-cyano-N-[3-[1-(4-oxidanyl-6-oxidanylidene-2-phenethyl-2-propyl-1,3-dioxin-5-yl)propyl]phenyl]benzenesulfonamide

Systemtic Name: 4-cyano-N-[3-[1-(4-oxidanyl-6-oxidanylidene-2-phenethyl-2-propyl-1,3-dioxin-5-yl)propyl]phenyl]benzenesulfonamide Openeye Name: 4-cyano-N-[3-[1-(4-hydroxy-6-oxo-2-phenethyl-2-propyl-1,3-dioxin-5-yl)propyl]phenyl]benzenesulfonamide CAS Name: 4-cyano-N-[3-[1-(4-hydroxy-6-oxo-2-phenethyl-2-propyl-1,3-dioxin-5-yl)propyl]phenyl]benzenesulfonamide IUPAC Name: 4-cyano-N-[3-[1-(4-hydroxy-6-oxo-2-phenethyl-2-propyl-1,3-dioxin-5-yl)propyl]phenyl]benzenesulfonamide Traditional Name: 4-cyano-N-[3-[1-(4-hydroxy-6-keto-2-phenethyl-2-propyl-1,3-dioxin-5-yl)propyl]phenyl]benzenesulfonamide Formula: C31H32N2O6S MolecularWeight: 560.66058

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(OC(=C(C(=O)O1)C(CC)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)C#N)O)CCC4=CC=CC=C4

Isomeric SMILES

CCCC1(OC(=C(C(=O)O1)C(CC)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)C#N)O)CCC4=CC=CC=C4

InChI

InChI=1S/C31H32N2O6S/c1-3-18-31(19-17-22-9-6-5-7-10-22)38-29(34)28(30(35)39-31)27(4-2)24-11-8-12-25(20-24)33-40(36,37)26-15-13-23(21-32)14-16-26/h5-16,20,27,33-34H,3-4,17-19H2,1-2H3