2-[4-[1-(4-ethylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[1-(4-ethylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-(4-ethylpiperazin-1-yl)-1-methyl-2-oxo-ethyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[1-(4-ethyl-1-piperazinyl)-1-oxopropan-2-yl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-(4-ethylpiperazino)-2-keto-1-methyl-ethyl]piperazino]sulfonylbenzonitrile Formula: C20H29N5O3S MolecularWeight: 419.54096

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C(C)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

CCN1CCN(CC1)C(=O)C(C)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C20H29N5O3S/c1-3-22-8-10-24(11-9-22)20(26)17(2)23-12-14-25(15-13-23)29(27,28)19-7-5-4-6-18(19)16-21/h4-7,17H,3,8-15H2,1-2H3