7-(4-methylsulfonylphenoxy)-6-piperazin-1-yl-2-propan-2-yl-2-thiophen-2-yl-heptanenitrile

Systemtic Name: 7-(4-methylsulfonylphenoxy)-6-piperazin-1-yl-2-propan-2-yl-2-thiophen-2-yl-heptanenitrile Openeye Name: 2-isopropyl-7-(4-methylsulfonylphenoxy)-6-piperazin-1-yl-2-(2-thienyl)heptanenitrile CAS Name: 7-(4-methylsulfonylphenoxy)-6-(1-piperazinyl)-2-propan-2-yl-2-thiophen-2-ylheptanenitrile IUPAC Name: 7-(4-methylsulfonylphenoxy)-6-piperazin-1-yl-2-propan-2-yl-2-thiophen-2-ylheptanenitrile Traditional Name: 2-isopropyl-7-(4-mesylphenoxy)-6-piperazino-2-(2-thienyl)enanthonitrile Formula: C25H35N3O3S2 MolecularWeight: 489.6937

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCC(COC1=CC=C(C=C1)S(=O)(=O)C)N2CCNCC2)(C#N)C3=CC=CS3

Isomeric SMILES

CC(C)C(CCCC(COC1=CC=C(C=C1)S(=O)(=O)C)N2CCNCC2)(C#N)C3=CC=CS3

InChI

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