2-[4-[3-(dimethylamino)phenyl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[3-(dimethylamino)phenyl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[[3-(dimethylamino)phenyl]-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[3-(dimethylamino)benzoyl]piperazino]sulfonylbenzonitrile Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

CN(C)C1=CC=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C20H22N4O3S/c1-22(2)18-8-5-7-16(14-18)20(25)23-10-12-24(13-11-23)28(26,27)19-9-4-3-6-17(19)15-21/h3-9,14H,10-13H2,1-2H3