2-[4-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]methyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]methyl]phenyl]benzonitrile CAS Name: 2-[4-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]methyl]phenyl]benzonitrile Traditional Name: 2-[4-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazino]methyl]phenyl]benzonitrile Formula: C26H25N3O4S MolecularWeight: 475.5594

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C26H25N3O4S/c27-18-22-3-1-2-4-24(22)21-7-5-20(6-8-21)19-28-11-13-29(14-12-28)34(30,31)23-9-10-25-26(17-23)33-16-15-32-25/h1-10,17H,11-16,19H2