2-[4-[4-[(4-chloranylphenoxy)methyl]phenyl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[4-[(4-chloranylphenoxy)methyl]phenyl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[4-[(4-chlorophenoxy)methyl]benzoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[[4-[(4-chlorophenoxy)methyl]phenyl]-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[4-[(4-chlorophenoxy)methyl]benzoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[4-[(4-chlorophenoxy)methyl]benzoyl]piperazino]sulfonylbenzonitrile Formula: C25H22ClN3O4S MolecularWeight: 495.97788

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=C(C=C2)COC3=CC=C(C=C3)Cl)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=C(C=C2)COC3=CC=C(C=C3)Cl)S(=O)(=O)C4=CC=CC=C4C#N

InChI

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