4-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(3,5-dimethylisoxazol-4-yl)sulfonylpiperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(3,5-dimethylisoxazol-4-yl)sulfonylpiperazino]methyl]benzonitrile Formula: C17H20N4O3S MolecularWeight: 360.4307

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C17H20N4O3S/c1-13-17(14(2)24-19-13)25(22,23)21-9-7-20(8-10-21)12-16-5-3-15(11-18)4-6-16/h3-6H,7-10,12H2,1-2H3