2-[4-(2-morpholin-4-ylsulfonyl-4-nitro-phenyl)piperazin-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-(2-morpholin-4-ylsulfonyl-4-nitro-phenyl)piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-(2-morpholinosulfonyl-4-nitro-phenyl)piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[2-(4-morpholinylsulfonyl)-4-nitrophenyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-(2-morpholin-4-ylsulfonyl-4-nitrophenyl)piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-(2-morpholinosulfonyl-4-nitro-phenyl)piperazino]isonicotinonitrile 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-])S(=O)(=O)N3CCOCC3)C4=NC=CC(=C4)C#N

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3)C4=NC=CC(=C4)C#N

InChI

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