N-butyl-2-(2-cyanoethanoyl)-N-phenyl-1-benzofuran-5-sulfonamide

Systemtic Name: N-butyl-2-(2-cyanoethanoyl)-N-phenyl-1-benzofuran-5-sulfonamide Openeye Name: N-butyl-2-(2-cyanoacetyl)-N-phenyl-benzofuran-5-sulfonamide CAS Name: N-butyl-2-(2-cyano-1-oxoethyl)-N-phenyl-5-benzofuransulfonamide IUPAC Name: N-butyl-2-(2-cyanoacetyl)-N-phenyl-1-benzofuran-5-sulfonamide Traditional Name: N-butyl-2-(2-cyanoacetyl)-N-phenyl-benzofuran-5-sulfonamide Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC=CC=C1)S(=O)(=O)C2=CC3=C(C=C2)OC(=C3)C(=O)CC#N

Isomeric SMILES

CCCCN(C1=CC=CC=C1)S(=O)(=O)C2=CC3=C(C=C2)OC(=C3)C(=O)CC#N

InChI

InChI=1S/C21H20N2O4S/c1-2-3-13-23(17-7-5-4-6-8-17)28(25,26)18-9-10-20-16(14-18)15-21(27-20)19(24)11-12-22/h4-10,14-15H,2-3,11,13H2,1H3