4-[4-[3-(3,5-dimethylphenoxy)propanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-[3-(3,5-dimethylphenoxy)propanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[3-(3,5-dimethylphenoxy)propanoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[3-(3,5-dimethylphenoxy)-1-oxopropyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[3-(3,5-dimethylphenoxy)propanoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[3-(3,5-dimethylphenoxy)propanoyl]piperazino]sulfonylbenzonitrile Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O4S/c1-17-13-18(2)15-20(14-17)29-12-7-22(26)24-8-10-25(11-9-24)30(27,28)21-5-3-19(16-23)4-6-21/h3-6,13-15H,7-12H2,1-2H3