5-[3-cyano-2-methyl-8-(4-methylsulfonylphenoxy)-7-piperazin-1-yl-octan-3-yl]thiophene-3-carbonitrile

Systemtic Name: 5-[3-cyano-2-methyl-8-(4-methylsulfonylphenoxy)-7-piperazin-1-yl-octan-3-yl]thiophene-3-carbonitrile Openeye Name: 5-[1-cyano-1-isopropyl-6-(4-methylsulfonylphenoxy)-5-piperazin-1-yl-hexyl]thiophene-3-carbonitrile CAS Name: 5-[3-cyano-2-methyl-8-(4-methylsulfonylphenoxy)-7-(1-piperazinyl)octan-3-yl]-3-thiophenecarbonitrile IUPAC Name: 5-[3-cyano-2-methyl-8-(4-methylsulfonylphenoxy)-7-piperazin-1-yloctan-3-yl]thiophene-3-carbonitrile Traditional Name: 5-[1-cyano-1-isopropyl-6-(4-mesylphenoxy)-5-piperazino-hexyl]thiophene-3-carbonitrile Formula: C26H34N4O3S2 MolecularWeight: 514.70316

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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)C#N

Isomeric SMILES

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

InChI

InChI=1S/C26H34N4O3S2/c1-20(2)26(19-28,25-15-21(16-27)18-34-25)10-4-5-22(30-13-11-29-12-14-30)17-33-23-6-8-24(9-7-23)35(3,31)32/h6-9,15,18,20,22,29H,4-5,10-14,17H2,1-3H3