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

Systemtic Name: 1-[3-nitro-4-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]sulfonylazepane Openeye Name: 1-[3-nitro-4-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]sulfonylazepane CAS Name: 1-[3-nitro-4-[4-(2-pyrazinyl)-1-piperazinyl]phenyl]sulfonylazepane IUPAC Name: 1-[3-nitro-4-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]sulfonylazepane Traditional Name: 1-[3-nitro-4-(4-pyrazin-2-ylpiperazino)phenyl]sulfonylazepane Formula: C20H26N6O4S MolecularWeight: 446.52324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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