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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

CCC1=CC=C(C=C1)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

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