5-[4-[2-(4-methylsulfonylphenoxy)ethyl]piperazin-1-yl]-2-propan-2-yl-2-thiophen-3-yl-pentanenitrile

Systemtic Name: 5-[4-[2-(4-methylsulfonylphenoxy)ethyl]piperazin-1-yl]-2-propan-2-yl-2-thiophen-3-yl-pentanenitrile Openeye Name: 2-isopropyl-5-[4-[2-(4-methylsulfonylphenoxy)ethyl]piperazin-1-yl]-2-(3-thienyl)pentanenitrile CAS Name: 5-[4-[2-(4-methylsulfonylphenoxy)ethyl]-1-piperazinyl]-2-propan-2-yl-2-(3-thiophenyl)pentanenitrile IUPAC Name: 5-[4-[2-(4-methylsulfonylphenoxy)ethyl]piperazin-1-yl]-2-propan-2-yl-2-thiophen-3-ylpentanenitrile Traditional Name: 2-isopropyl-5-[4-[2-(4-mesylphenoxy)ethyl]piperazino]-2-(3-thienyl)valeronitrile Formula: C25H35N3O3S2 MolecularWeight: 489.6937

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)CCOC2=CC=C(C=C2)S(=O)(=O)C)(C#N)C3=CSC=C3

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)CCOC2=CC=C(C=C2)S(=O)(=O)C)(C#N)C3=CSC=C3

InChI

InChI=1S/C25H35N3O3S2/c1-21(2)25(20-26,22-9-18-32-19-22)10-4-11-27-12-14-28(15-13-27)16-17-31-23-5-7-24(8-6-23)33(3,29)30/h5-9,18-19,21H,4,10-17H2,1-3H3