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

Systemtic Name: 4-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-(1-naphthylmethyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-(1-naphthalenylmethyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[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=C(C=C4)C#N

Isomeric SMILES

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

InChI

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