4-[4-(2-phenethylphenyl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-(2-phenethylphenyl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-(2-phenethylbenzoyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[oxo-(2-phenethylphenyl)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-(2-phenethylbenzoyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-(2-phenethylbenzoyl)piperazino]sulfonylbenzonitrile Formula: C26H25N3O3S MolecularWeight: 459.56

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CC=C2CCC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CC=C2CCC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)C#N

InChI

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