2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)benzenecarbonitrile

Systemtic Name: 2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)benzenecarbonitrile Openeye Name: 2-[4-(1-naphthylsulfonyl)piperazin-1-yl]benzonitrile CAS Name: 2-[4-(1-naphthalenylsulfonyl)-1-piperazinyl]benzonitrile IUPAC Name: 2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)benzonitrile Traditional Name: 2-[4-(1-naphthylsulfonyl)piperazino]benzonitrile Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2C#N)S(=O)(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2C#N)S(=O)(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C21H19N3O2S/c22-16-18-7-2-4-10-20(18)23-12-14-24(15-13-23)27(25,26)21-11-5-8-17-6-1-3-9-19(17)21/h1-11H,12-15H2