2-[4-(5-morpholin-4-ylsulfonylpyridin-2-yl)piperazin-1-yl]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[4-(5-morpholin-4-ylsulfonylpyridin-2-yl)piperazin-1-yl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[4-(5-morpholinosulfonyl-2-pyridyl)piperazin-1-yl]-5-nitro-benzonitrile CAS Name: 2-[4-[5-(4-morpholinylsulfonyl)-2-pyridinyl]-1-piperazinyl]-5-nitrobenzonitrile IUPAC Name: 2-[4-(5-morpholin-4-ylsulfonylpyridin-2-yl)piperazin-1-yl]-5-nitrobenzonitrile Traditional Name: 2-[4-(5-morpholinosulfonyl-2-pyridyl)piperazino]-5-nitro-benzonitrile Formula: C20H22N6O5S MolecularWeight: 458.49088

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])C#N)C3=NC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])C#N)C3=NC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C20H22N6O5S/c21-14-16-13-17(26(27)28)1-3-19(16)23-5-7-24(8-6-23)20-4-2-18(15-22-20)32(29,30)25-9-11-31-12-10-25/h1-4,13,15H,5-12H2