2-[[4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]carbonylphenoxy]methyl]benzenecarbonitrile

Systemtic Name: 2-[[4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]carbonylphenoxy]methyl]benzenecarbonitrile Openeye Name: 2-[[4-[4-(p-tolylsulfonyl)piperazine-1-carbonyl]phenoxy]methyl]benzonitrile CAS Name: 2-[[4-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]phenoxy]methyl]benzonitrile IUPAC Name: 2-[[4-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]phenoxy]methyl]benzonitrile Traditional Name: 2-[[4-(4-tosylpiperazine-1-carbonyl)phenoxy]methyl]benzonitrile Formula: C26H25N3O4S MolecularWeight: 475.5594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4C#N

InChI

InChI=1S/C26H25N3O4S/c1-20-6-12-25(13-7-20)34(31,32)29-16-14-28(15-17-29)26(30)21-8-10-24(11-9-21)33-19-23-5-3-2-4-22(23)18-27/h2-13H,14-17,19H2,1H3