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

Systemtic Name: 2-[4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[[5-(2-thienyl)isoxazol-3-yl]methyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(5-thiophen-2-yl-3-isoxazolyl)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[[5-(2-thienyl)isoxazol-3-yl]methyl]piperazino]sulfonylbenzonitrile Formula: C19H18N4O3S2 MolecularWeight: 414.50122

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NOC(=C2)C3=CC=CS3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1CC2=NOC(=C2)C3=CC=CS3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C19H18N4O3S2/c20-13-15-4-1-2-6-19(15)28(24,25)23-9-7-22(8-10-23)14-16-12-17(26-21-16)18-5-3-11-27-18/h1-6,11-12H,7-10,14H2