4-[4-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[4-methoxy-3-(4-pyridylmethoxy)benzoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[4-methoxy-3-(pyridin-4-ylmethoxy)benzoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[4-methoxy-3-(4-pyridylmethoxy)benzoyl]piperazino]sulfonylbenzonitrile Formula: C25H24N4O5S MolecularWeight: 492.54686

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N)OCC4=CC=NC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N)OCC4=CC=NC=C4

InChI

InChI=1S/C25H24N4O5S/c1-33-23-7-4-21(16-24(23)34-18-20-8-10-27-11-9-20)25(30)28-12-14-29(15-13-28)35(31,32)22-5-2-19(17-26)3-6-22/h2-11,16H,12-15,18H2,1H3