2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-(1-oxo-3,3-diphenylpropyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(3,3-diphenylpropanoyl)piperazino]sulfonylbenzonitrile Formula: C26H25N3O3S MolecularWeight: 459.56

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CC(C2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C(=O)CC(C2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C26H25N3O3S/c27-20-23-13-7-8-14-25(23)33(31,32)29-17-15-28(16-18-29)26(30)19-24(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-14,24H,15-19H2