2-[2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]carbonylphenyl]sulfanylethanenitrile

Systemtic Name: 2-[2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]carbonylphenyl]sulfanylethanenitrile Openeye Name: 2-[2-[4-(3-nitrophenyl)sulfonylpiperazine-1-carbonyl]phenyl]sulfanylacetonitrile CAS Name: 2-[[2-[[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-oxomethyl]phenyl]thio]acetonitrile IUPAC Name: 2-[2-[4-(3-nitrophenyl)sulfonylpiperazine-1-carbonyl]phenyl]sulfanylacetonitrile Traditional Name: 2-[[2-[4-(3-nitrophenyl)sulfonylpiperazine-1-carbonyl]phenyl]thio]acetonitrile Formula: C19H18N4O5S2 MolecularWeight: 446.50002

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CC=C2SCC#N)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CC=C2SCC#N)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O5S2/c20-8-13-29-18-7-2-1-6-17(18)19(24)21-9-11-22(12-10-21)30(27,28)16-5-3-4-15(14-16)23(25)26/h1-7,14H,9-13H2