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

Systemtic Name: 4-[4-[(3-phenyl-2,1-benzoxazol-5-yl)carbonyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-(3-phenyl-2,1-benzoxazole-5-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[oxo-(3-phenyl-2,1-benzoxazol-5-yl)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-(3-phenyl-2,1-benzoxazole-5-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-(3-phenylanthranil-5-carbonyl)piperazino]sulfonylbenzonitrile Formula: C25H20N4O4S MolecularWeight: 472.5157

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC3=C(ON=C3C=C2)C4=CC=CC=C4)S(=O)(=O)C5=CC=C(C=C5)C#N

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC3=C(ON=C3C=C2)C4=CC=CC=C4)S(=O)(=O)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C25H20N4O4S/c26-17-18-6-9-21(10-7-18)34(31,32)29-14-12-28(13-15-29)25(30)20-8-11-23-22(16-20)24(33-27-23)19-4-2-1-3-5-19/h1-11,16H,12-15H2