2-[4-[2-[cyclohexyl(methyl)amino]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-[cyclohexyl(methyl)amino]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-[cyclohexyl(methyl)amino]acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-[cyclohexyl(methyl)amino]-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-[cyclohexyl(methyl)amino]acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-[cyclohexyl(methyl)amino]acetyl]piperazino]sulfonylbenzonitrile Formula: C20H28N4O3S MolecularWeight: 404.52632

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C#N)C3CCCCC3

Isomeric SMILES

CN(CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C#N)C3CCCCC3

InChI

InChI=1S/C20H28N4O3S/c1-22(18-8-3-2-4-9-18)16-20(25)23-11-13-24(14-12-23)28(26,27)19-10-6-5-7-17(19)15-21/h5-7,10,18H,2-4,8-9,11-14,16H2,1H3