3-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 3-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[4-(1-naphthylmethyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 3-[[4-(1-naphthalenylmethyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 3-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 3-[4-(1-naphthylmethyl)piperazino]sulfonylbenzonitrile Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC3=CC=CC=C32)S(=O)(=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1CN(CCN1CC2=CC=CC3=CC=CC=C32)S(=O)(=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C22H21N3O2S/c23-16-18-5-3-9-21(15-18)28(26,27)25-13-11-24(12-14-25)17-20-8-4-7-19-6-1-2-10-22(19)20/h1-10,15H,11-14,17H2