2-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylphenoxy]-6-chloranyl-benzenecarbonitrile

Systemtic Name: 2-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylphenoxy]-6-chloranyl-benzenecarbonitrile Openeye Name: 2-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylphenoxy]-6-chloro-benzonitrile CAS Name: 2-[4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl]phenoxy]-6-chlorobenzonitrile IUPAC Name: 2-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylphenoxy]-6-chlorobenzonitrile Traditional Name: 2-chloro-6-[4-(4-piperonylpiperazino)sulfonylphenoxy]benzonitrile Formula: C25H22ClN3O5S MolecularWeight: 511.97728

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=C(C=C4)OC5=C(C(=CC=C5)Cl)C#N

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=C(C=C4)OC5=C(C(=CC=C5)Cl)C#N

InChI

InChI=1S/C25H22ClN3O5S/c26-22-2-1-3-23(21(22)15-27)34-19-5-7-20(8-6-19)35(30,31)29-12-10-28(11-13-29)16-18-4-9-24-25(14-18)33-17-32-24/h1-9,14H,10-13,16-17H2