4-[4-[(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)carbonyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-[(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)carbonyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-(5-phenyl-4,5-dihydroisoxazole-3-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[oxo-(5-phenyl-4,5-dihydroisoxazol-3-yl)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-(5-phenyl-4,5-dihydro-1,2-oxazole-3-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-(5-phenyl-2-isoxazoline-3-carbonyl)piperazino]sulfonylbenzonitrile Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=NOC(C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCN1C(=O)C2=NOC(C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H20N4O4S/c22-15-16-6-8-18(9-7-16)30(27,28)25-12-10-24(11-13-25)21(26)19-14-20(29-23-19)17-4-2-1-3-5-17/h1-9,20H,10-14H2