2-[4-[3-(oxolan-2-ylmethoxy)phenyl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[3-(oxolan-2-ylmethoxy)phenyl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[3-(tetrahydrofuran-2-ylmethoxy)benzoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[oxo-[3-(2-oxolanylmethoxy)phenyl]methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[3-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[3-(tetrahydrofurfuryloxy)benzoyl]piperazino]sulfonylbenzonitrile Formula: C23H25N3O5S MolecularWeight: 455.5267

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)COC2=CC=CC(=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CC(OC1)COC2=CC=CC(=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C23H25N3O5S/c24-16-19-5-1-2-9-22(19)32(28,29)26-12-10-25(11-13-26)23(27)18-6-3-7-20(15-18)31-17-21-8-4-14-30-21/h1-3,5-7,9,15,21H,4,8,10-14,17H2