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

Systemtic Name: 2-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]carbonylphenyl]benzenecarbonitrile Openeye Name: 2-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine-1-carbonyl]phenyl]benzonitrile CAS Name: 2-[2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]-oxomethyl]phenyl]benzonitrile IUPAC Name: 2-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine-1-carbonyl]phenyl]benzonitrile Traditional Name: 2-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine-1-carbonyl]phenyl]benzonitrile Formula: C26H23N3O5S MolecularWeight: 489.54292

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CC=C2C3=CC=CC=C3C#N)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CC=C2C3=CC=CC=C3C#N)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C26H23N3O5S/c27-18-19-5-1-2-6-21(19)22-7-3-4-8-23(22)26(30)28-11-13-29(14-12-28)35(31,32)20-9-10-24-25(17-20)34-16-15-33-24/h1-10,17H,11-16H2