4-[1-(4-ethylpiperazin-1-yl)hexyl]-2-methyl-benzenecarbonitrile; 1-fluoranyl-4-(sulfinoamino)benzene

Systemtic Name: 4-[1-(4-ethylpiperazin-1-yl)hexyl]-2-methyl-benzenecarbonitrile; 1-fluoranyl-4-(sulfinoamino)benzene Openeye Name: 4-[1-(4-ethylpiperazin-1-yl)hexyl]-2-methyl-benzonitrile; 1-fluoro-4-(sulfinoamino)benzene CAS Name: 4-[1-(4-ethyl-1-piperazinyl)hexyl]-2-methylbenzonitrile; 1-fluoro-4-(sulfinoamino)benzene IUPAC Name: 4-[1-(4-ethylpiperazin-1-yl)hexyl]-2-methylbenzonitrile; 1-fluoro-4-(sulfinoamino)benzene Traditional Name: 4-[1-(4-ethylpiperazino)hexyl]-2-methyl-benzonitrile; 1-fluoro-4-(sulfinoamino)benzene Formula: C26H37FN4O2S MolecularWeight: 488.660983

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CC.C1=CC(=CC=C1NS(=O)O)F

Isomeric SMILES

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CC.C1=CC(=CC=C1NS(=O)O)F

InChI

InChI=1S/C20H31N3.C6H6FNO2S/c1-4-6-7-8-20(23-13-11-22(5-2)12-14-23)18-9-10-19(16-21)17(3)15-18;7-5-1-3-6(4-2-5)8-11(9)10/h9-10,15,20H,4-8,11-14H2,1-3H3;1-4,8H,(H,9,10)