2-[4-[4-(2,5-dimethylphenyl)-4-oxidanylidene-butanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[4-(2,5-dimethylphenyl)-4-oxidanylidene-butanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[4-(2,5-dimethylphenyl)-4-oxo-butanoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[4-(2,5-dimethylphenyl)-1,4-dioxobutyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[4-(2,5-dimethylphenyl)-4-oxobutanoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[4-(2,5-dimethylphenyl)-4-keto-butanoyl]piperazino]sulfonylbenzonitrile Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O4S/c1-17-7-8-18(2)20(15-17)21(27)9-10-23(28)25-11-13-26(14-12-25)31(29,30)22-6-4-3-5-19(22)16-24/h3-8,15H,9-14H2,1-2H3