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

Systemtic Name: 1-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]sulfonylazepane Openeye Name: 1-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]sulfonylazepane CAS Name: 1-[[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]sulfonyl]azepane IUPAC Name: 1-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]sulfonylazepane Traditional Name: 1-[4-(4-chloro-2-nitro-phenyl)piperazino]sulfonylazepane Formula: C16H23ClN4O4S MolecularWeight: 402.89622

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H23ClN4O4S/c17-14-5-6-15(16(13-14)21(22)23)18-9-11-20(12-10-18)26(24,25)19-7-3-1-2-4-8-19/h5-6,13H,1-4,7-12H2