3-cyano-N-[(4-dimethylaminophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide

Systemtic Name: 3-cyano-N-[(4-dimethylaminophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide Openeye Name: 3-cyano-N-[(4-dimethylaminophenyl)methyl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzenesulfonamide CAS Name: 3-cyano-N-[(4-dimethylaminophenyl)methyl]-N-[[(2R)-2-oxolanyl]methyl]benzenesulfonamide IUPAC Name: 3-cyano-N-[(4-dimethylaminophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide Traditional Name: 3-cyano-N-[4-(dimethylamino)benzyl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzenesulfonamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CN(CC2CCCO2)S(=O)(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CN(C[C@H]2CCCO2)S(=O)(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C21H25N3O3S/c1-23(2)19-10-8-17(9-11-19)15-24(16-20-6-4-12-27-20)28(25,26)21-7-3-5-18(13-21)14-22/h3,5,7-11,13,20H,4,6,12,15-16H2,1-2H3/t20-/m1/s1