2-[4-[3-(2,4-dimethylphenyl)propanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[3-(2,4-dimethylphenyl)propanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[3-(2,4-dimethylphenyl)propanoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[3-(2,4-dimethylphenyl)-1-oxopropyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[3-(2,4-dimethylphenyl)propanoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[3-(2,4-dimethylphenyl)propanoyl]piperazino]sulfonylbenzonitrile Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)C

InChI

InChI=1S/C22H25N3O3S/c1-17-7-8-19(18(2)15-17)9-10-22(26)24-11-13-25(14-12-24)29(27,28)21-6-4-3-5-20(21)16-23/h3-8,15H,9-14H2,1-2H3