4-[4-[1-(3,5-dimethylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-[1-(3,5-dimethylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[2-(3,5-dimethyl-1-piperidyl)-1-methyl-2-oxo-ethyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[1-(3,5-dimethyl-1-piperidinyl)-1-oxopropan-2-yl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[2-(3,5-dimethylpiperidino)-2-keto-1-methyl-ethyl]piperazino]sulfonylbenzonitrile Formula: C21H30N4O3S MolecularWeight: 418.5529

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C(C)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)C(C)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C21H30N4O3S/c1-16-12-17(2)15-24(14-16)21(26)18(3)23-8-10-25(11-9-23)29(27,28)20-6-4-19(13-22)5-7-20/h4-7,16-18H,8-12,14-15H2,1-3H3