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

Systemtic Name: 2-[4-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[3-methoxy-4-(4-pyridylmethoxy)benzoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[3-methoxy-4-(pyridin-4-ylmethoxy)benzoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[3-methoxy-4-(4-pyridylmethoxy)benzoyl]piperazino]sulfonylbenzonitrile Formula: C25H24N4O5S MolecularWeight: 492.54686

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)OCC4=CC=NC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)OCC4=CC=NC=C4

InChI

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