3-[2,6-dimethyl-4-(phenylmethyl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 3-[2,6-dimethyl-4-(phenylmethyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-(4-benzyl-2,6-dimethyl-piperazin-1-yl)sulfonylbenzonitrile CAS Name: 3-[[2,6-dimethyl-4-(phenylmethyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 3-(4-benzyl-2,6-dimethylpiperazin-1-yl)sulfonylbenzonitrile Traditional Name: 3-(4-benzyl-2,6-dimethyl-piperazino)sulfonylbenzonitrile Formula: C20H23N3O2S MolecularWeight: 369.48052

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1S(=O)(=O)C2=CC=CC(=C2)C#N)C)CC3=CC=CC=C3

Isomeric SMILES

CC1CN(CC(N1S(=O)(=O)C2=CC=CC(=C2)C#N)C)CC3=CC=CC=C3

InChI

InChI=1S/C20H23N3O2S/c1-16-13-22(15-18-7-4-3-5-8-18)14-17(2)23(16)26(24,25)20-10-6-9-19(11-20)12-21/h3-11,16-17H,13-15H2,1-2H3