2-chloranyl-6-[4-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]sulfonylphenoxy]benzenecarbonitrile

Systemtic Name: 2-chloranyl-6-[4-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]sulfonylphenoxy]benzenecarbonitrile Openeye Name: 2-chloro-6-[4-[3-methyl-4-(p-tolyl)piperazin-1-yl]sulfonylphenoxy]benzonitrile CAS Name: 2-chloro-6-[4-[[3-methyl-4-(4-methylphenyl)-1-piperazinyl]sulfonyl]phenoxy]benzonitrile IUPAC Name: 2-chloro-6-[4-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]sulfonylphenoxy]benzonitrile Traditional Name: 2-chloro-6-[4-[3-methyl-4-(p-tolyl)piperazino]sulfonylphenoxy]benzonitrile Formula: C25H24ClN3O3S MolecularWeight: 481.99436

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=C(C=C3)OC4=C(C(=CC=C4)Cl)C#N

Isomeric SMILES

CC1CN(CCN1C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=C(C=C3)OC4=C(C(=CC=C4)Cl)C#N

InChI

InChI=1S/C25H24ClN3O3S/c1-18-6-8-20(9-7-18)29-15-14-28(17-19(29)2)33(30,31)22-12-10-21(11-13-22)32-25-5-3-4-24(26)23(25)16-27/h3-13,19H,14-15,17H2,1-2H3