3-[4-[4-(1-benzofuran-2-yl)phenoxy]piperidin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 3-[4-[4-(1-benzofuran-2-yl)phenoxy]piperidin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[[4-[4-(benzofuran-2-yl)phenoxy]-1-piperidyl]sulfonyl]benzonitrile CAS Name: 3-[[4-[4-(2-benzofuranyl)phenoxy]-1-piperidinyl]sulfonyl]benzonitrile IUPAC Name: 3-[4-[4-(1-benzofuran-2-yl)phenoxy]piperidin-1-yl]sulfonylbenzonitrile Traditional Name: 3-[4-[4-(benzofuran-2-yl)phenoxy]piperidino]sulfonylbenzonitrile Formula: C26H22N2O4S MolecularWeight: 458.52888

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC2=CC=C(C=C2)C3=CC4=CC=CC=C4O3)S(=O)(=O)C5=CC=CC(=C5)C#N

Isomeric SMILES

C1CN(CCC1OC2=CC=C(C=C2)C3=CC4=CC=CC=C4O3)S(=O)(=O)C5=CC=CC(=C5)C#N

InChI

InChI=1S/C26H22N2O4S/c27-18-19-4-3-6-24(16-19)33(29,30)28-14-12-23(13-15-28)31-22-10-8-20(9-11-22)26-17-21-5-1-2-7-25(21)32-26/h1-11,16-17,23H,12-15H2