1-[3-nitro-4-[4-(2-nitrophenyl)piperazin-1-yl]phenyl]sulfonylazepane

Systemtic Name: 1-[3-nitro-4-[4-(2-nitrophenyl)piperazin-1-yl]phenyl]sulfonylazepane Openeye Name: 1-[3-nitro-4-[4-(2-nitrophenyl)piperazin-1-yl]phenyl]sulfonylazepane CAS Name: 1-[3-nitro-4-[4-(2-nitrophenyl)-1-piperazinyl]phenyl]sulfonylazepane IUPAC Name: 1-[3-nitro-4-[4-(2-nitrophenyl)piperazin-1-yl]phenyl]sulfonylazepane Traditional Name: 1-[3-nitro-4-[4-(2-nitrophenyl)piperazino]phenyl]sulfonylazepane Formula: C22H27N5O6S MolecularWeight: 489.54468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O6S/c28-26(29)21-8-4-3-7-19(21)23-13-15-24(16-14-23)20-10-9-18(17-22(20)27(30)31)34(32,33)25-11-5-1-2-6-12-25/h3-4,7-10,17H,1-2,5-6,11-16H2