2-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)carbonylphenyl]sulfanylethanenitrile

Systemtic Name: 2-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)carbonylphenyl]sulfanylethanenitrile Openeye Name: 2-[2-[4-(2-naphthylsulfonyl)piperazine-1-carbonyl]phenyl]sulfanylacetonitrile CAS Name: 2-[[2-[[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-oxomethyl]phenyl]thio]acetonitrile IUPAC Name: 2-[2-(4-naphthalen-2-ylsulfonylpiperazine-1-carbonyl)phenyl]sulfanylacetonitrile Traditional Name: 2-[[2-[4-(2-naphthylsulfonyl)piperazine-1-carbonyl]phenyl]thio]acetonitrile Formula: C23H21N3O3S2 MolecularWeight: 451.56114

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CC=C2SCC#N)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CC=C2SCC#N)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

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