2-[4-(2-naphthalen-2-ylsulfanylethanoyl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(2-naphthalen-2-ylsulfanylethanoyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-(2-naphthylsulfanyl)acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-(2-naphthalenylthio)-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(2-naphthalen-2-ylsulfanylacetyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-(2-naphthylthio)acetyl]piperazino]sulfonylbenzonitrile Formula: C23H21N3O3S2 MolecularWeight: 451.56114

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=CC3=CC=CC=C3C=C2)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=CC3=CC=CC=C3C=C2)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C23H21N3O3S2/c24-16-20-7-3-4-8-22(20)31(28,29)26-13-11-25(12-14-26)23(27)17-30-21-10-9-18-5-1-2-6-19(18)15-21/h1-10,15H,11-14,17H2