4-[4-cyano-5-(3-imidazol-1-ylpropylamino)-1,3-oxazol-2-yl]-N,N-diethyl-benzenesulfonamide

Systemtic Name: 4-[4-cyano-5-(3-imidazol-1-ylpropylamino)-1,3-oxazol-2-yl]-N,N-diethyl-benzenesulfonamide Openeye Name: 4-[4-cyano-5-(3-imidazol-1-ylpropylamino)oxazol-2-yl]-N,N-diethyl-benzenesulfonamide CAS Name: 4-[4-cyano-5-[3-(1-imidazolyl)propylamino]-2-oxazolyl]-N,N-diethylbenzenesulfonamide IUPAC Name: 4-[4-cyano-5-(3-imidazol-1-ylpropylamino)-1,3-oxazol-2-yl]-N,N-diethylbenzenesulfonamide Traditional Name: 4-[4-cyano-5-(3-imidazol-1-ylpropylamino)oxazol-2-yl]-N,N-diethyl-benzenesulfonamide Formula: C20H24N6O3S MolecularWeight: 428.50796

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C2=NC(=C(O2)NCCCN3C=CN=C3)C#N

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C2=NC(=C(O2)NCCCN3C=CN=C3)C#N

InChI

InChI=1S/C20H24N6O3S/c1-3-26(4-2)30(27,28)17-8-6-16(7-9-17)19-24-18(14-21)20(29-19)23-10-5-12-25-13-11-22-15-25/h6-9,11,13,15,23H,3-5,10,12H2,1-2H3