3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[4-[(3-methylisoxazol-5-yl)methyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 3-[[4-[(3-methyl-5-isoxazolyl)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 3-[4-[(3-methylisoxazol-5-yl)methyl]piperazino]sulfonylbenzonitrile Formula: C16H18N4O3S MolecularWeight: 346.40412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

CC1=NOC(=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C16H18N4O3S/c1-13-9-15(23-18-13)12-19-5-7-20(8-6-19)24(21,22)16-4-2-3-14(10-16)11-17/h2-4,9-10H,5-8,12H2,1H3