4-[4-[(2-oxidanylidene-5-pyrrolidin-1-ylsulfonyl-pyridin-1-yl)methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-[(2-oxidanylidene-5-pyrrolidin-1-ylsulfonyl-pyridin-1-yl)methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridyl)methyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[[2-oxo-5-(1-pyrrolidinylsulfonyl)-1-pyridinyl]methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[(2-oxo-5-pyrrolidin-1-ylsulfonylpyridin-1-yl)methyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[(2-keto-5-pyrrolidinosulfonyl-1-pyridyl)methyl]piperazino]sulfonylbenzonitrile Formula: C21H25N5O5S2 MolecularWeight: 491.5837

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CN(C(=O)C=C2)CN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CN(C(=O)C=C2)CN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H25N5O5S2/c22-15-18-3-5-19(6-4-18)32(28,29)26-13-11-23(12-14-26)17-24-16-20(7-8-21(24)27)33(30,31)25-9-1-2-10-25/h3-8,16H,1-2,9-14,17H2