1-[3-nitro-4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]sulfonylazepane

Systemtic Name: 1-[3-nitro-4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]sulfonylazepane Openeye Name: 1-[3-nitro-4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]sulfonylazepane CAS Name: 1-[3-nitro-4-[4-(2-pyrimidinyl)-1-piperazinyl]phenyl]sulfonylazepane IUPAC Name: 1-[3-nitro-4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]sulfonylazepane Traditional Name: 1-[3-nitro-4-[4-(2-pyrimidyl)piperazino]phenyl]sulfonylazepane Formula: C20H26N6O4S MolecularWeight: 446.52324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C4=NC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C4=NC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C20H26N6O4S/c27-26(28)19-16-17(31(29,30)25-10-3-1-2-4-11-25)6-7-18(19)23-12-14-24(15-13-23)20-21-8-5-9-22-20/h5-9,16H,1-4,10-15H2