2-[[4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]carbonylphenoxy]methyl]benzenecarbonitrile

Systemtic Name: 2-[[4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]carbonylphenoxy]methyl]benzenecarbonitrile Openeye Name: 2-[[4-[4-(2-chlorophenyl)sulfonylpiperazine-1-carbonyl]phenoxy]methyl]benzonitrile CAS Name: 2-[[4-[[4-(2-chlorophenyl)sulfonyl-1-piperazinyl]-oxomethyl]phenoxy]methyl]benzonitrile IUPAC Name: 2-[[4-[4-(2-chlorophenyl)sulfonylpiperazine-1-carbonyl]phenoxy]methyl]benzonitrile Traditional Name: 2-[[4-[4-(2-chlorophenyl)sulfonylpiperazine-1-carbonyl]phenoxy]methyl]benzonitrile Formula: C25H22ClN3O4S MolecularWeight: 495.97788

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3C#N)S(=O)(=O)C4=CC=CC=C4Cl

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3C#N)S(=O)(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C25H22ClN3O4S/c26-23-7-3-4-8-24(23)34(31,32)29-15-13-28(14-16-29)25(30)19-9-11-22(12-10-19)33-18-21-6-2-1-5-20(21)17-27/h1-12H,13-16,18H2