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

Systemtic Name: 2-cyano-N-[(4-dimethylaminophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide Openeye Name: 2-cyano-N-[(4-dimethylaminophenyl)methyl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzenesulfonamide CAS Name: 2-cyano-N-[(4-dimethylaminophenyl)methyl]-N-[[(2R)-2-oxolanyl]methyl]benzenesulfonamide IUPAC Name: 2-cyano-N-[(4-dimethylaminophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide Traditional Name: 2-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=C3C#N

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CN(C[C@H]2CCCO2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

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