2-[4-[4-(1-benzofuran-2-ylsulfonyl)piperazin-1-yl]carbonylphenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[4-(1-benzofuran-2-ylsulfonyl)piperazin-1-yl]carbonylphenyl]benzenecarbonitrile Openeye Name: 2-[4-[4-(benzofuran-2-ylsulfonyl)piperazine-1-carbonyl]phenyl]benzonitrile CAS Name: 2-[4-[[4-(2-benzofuranylsulfonyl)-1-piperazinyl]-oxomethyl]phenyl]benzonitrile IUPAC Name: 2-[4-[4-(1-benzofuran-2-ylsulfonyl)piperazine-1-carbonyl]phenyl]benzonitrile Traditional Name: 2-[4-[4-(benzofuran-2-ylsulfonyl)piperazine-1-carbonyl]phenyl]benzonitrile Formula: C26H21N3O4S MolecularWeight: 471.52764

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=C(C=C2)C3=CC=CC=C3C#N)S(=O)(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=C(C=C2)C3=CC=CC=C3C#N)S(=O)(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C26H21N3O4S/c27-18-22-6-1-3-7-23(22)19-9-11-20(12-10-19)26(30)28-13-15-29(16-14-28)34(31,32)25-17-21-5-2-4-8-24(21)33-25/h1-12,17H,13-16H2