4-[5-nitro-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenyl]sulfonylmorpholine

Systemtic Name: 4-[5-nitro-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenyl]sulfonylmorpholine Openeye Name: 4-[5-nitro-2-[4-(2-pyridylmethyl)piperazin-1-yl]phenyl]sulfonylmorpholine CAS Name: 4-[5-nitro-2-[4-(2-pyridinylmethyl)-1-piperazinyl]phenyl]sulfonylmorpholine IUPAC Name: 4-[5-nitro-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenyl]sulfonylmorpholine Traditional Name: 4-[5-nitro-2-[4-(2-pyridylmethyl)piperazino]phenyl]sulfonylmorpholine Formula: C20H25N5O5S MolecularWeight: 447.508

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=N2)C3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)N4CCOCC4

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=N2)C3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C20H25N5O5S/c26-25(27)18-4-5-19(20(15-18)31(28,29)24-11-13-30-14-12-24)23-9-7-22(8-10-23)16-17-3-1-2-6-21-17/h1-6,15H,7-14,16H2