2-[4-(3-phenylmethoxyphenyl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(3-phenylmethoxyphenyl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(3-benzyloxybenzoyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[oxo-(3-phenylmethoxyphenyl)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(3-phenylmethoxybenzoyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(3-benzoxybenzoyl)piperazino]sulfonylbenzonitrile Formula: C25H23N3O4S MolecularWeight: 461.53282

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC(=CC=C2)OCC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC(=CC=C2)OCC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C25H23N3O4S/c26-18-22-9-4-5-12-24(22)33(30,31)28-15-13-27(14-16-28)25(29)21-10-6-11-23(17-21)32-19-20-7-2-1-3-8-20/h1-12,17H,13-16,19H2