4-[2-oxidanylidene-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethoxy]benzenecarbonitrile

Systemtic Name: 4-[2-oxidanylidene-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethoxy]benzenecarbonitrile Openeye Name: 4-[2-oxo-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethoxy]benzonitrile CAS Name: 4-[2-oxo-2-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinyl]ethoxy]benzonitrile IUPAC Name: 4-[2-oxo-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethoxy]benzonitrile Traditional Name: 4-[2-keto-2-(4-mesitylsulfonylpiperazino)ethoxy]benzonitrile Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)COC3=CC=C(C=C3)C#N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)COC3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C22H25N3O4S/c1-16-12-17(2)22(18(3)13-16)30(27,28)25-10-8-24(9-11-25)21(26)15-29-20-6-4-19(14-23)5-7-20/h4-7,12-13H,8-11,15H2,1-3H3