2-[4-[2-(2-chloranyl-4-phenyl-phenoxy)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-(2-chloranyl-4-phenyl-phenoxy)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-(2-chloro-4-phenyl-phenoxy)acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-(2-chloro-4-phenylphenoxy)-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-(2-chloro-4-phenylphenoxy)acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-(2-chloro-4-phenyl-phenoxy)acetyl]piperazino]sulfonylbenzonitrile Formula: C25H22ClN3O4S MolecularWeight: 495.97788

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC2=C(C=C(C=C2)C3=CC=CC=C3)Cl)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C(=O)COC2=C(C=C(C=C2)C3=CC=CC=C3)Cl)S(=O)(=O)C4=CC=CC=C4C#N

InChI

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