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

Systemtic Name: 2-[2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)carbonylphenyl]sulfanylethanenitrile Openeye Name: 2-[2-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)phenyl]sulfanylacetonitrile CAS Name: 2-[[2-[oxo-[4-(1-pyrrolidinylsulfonyl)-1-piperazinyl]methyl]phenyl]thio]acetonitrile IUPAC Name: 2-[2-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)phenyl]sulfanylacetonitrile Traditional Name: 2-[[2-(4-pyrrolidinosulfonylpiperazine-1-carbonyl)phenyl]thio]acetonitrile Formula: C17H22N4O3S2 MolecularWeight: 394.51158

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3SCC#N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3SCC#N

InChI

InChI=1S/C17H22N4O3S2/c18-7-14-25-16-6-2-1-5-15(16)17(22)19-10-12-21(13-11-19)26(23,24)20-8-3-4-9-20/h1-2,5-6H,3-4,8-14H2