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

Systemtic Name: 4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]benzenecarbonitrile Openeye Name: 4-[4-(3,5-dimethylisoxazol-4-yl)sulfonylpiperazin-1-yl]benzonitrile CAS Name: 4-[4-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-1-piperazinyl]benzonitrile IUPAC Name: 4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]benzonitrile Traditional Name: 4-[4-(3,5-dimethylisoxazol-4-yl)sulfonylpiperazino]benzonitrile Formula: C16H18N4O3S MolecularWeight: 346.40412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O3S/c1-12-16(13(2)23-18-12)24(21,22)20-9-7-19(8-10-20)15-5-3-14(11-17)4-6-15/h3-6H,7-10H2,1-2H3