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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)C#N)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)C#N)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

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