1-[4-[4-(azepan-1-yl)-3-nitro-phenyl]sulfonyl-2-nitro-phenyl]azepane

Systemtic Name: 1-[4-[4-(azepan-1-yl)-3-nitro-phenyl]sulfonyl-2-nitro-phenyl]azepane Openeye Name: 1-[4-[4-(azepan-1-yl)-3-nitro-phenyl]sulfonyl-2-nitro-phenyl]azepane CAS Name: 1-[4-[4-(1-azepanyl)-3-nitrophenyl]sulfonyl-2-nitrophenyl]azepane IUPAC Name: 1-[4-[4-(azepan-1-yl)-3-nitrophenyl]sulfonyl-2-nitrophenyl]azepane Traditional Name: 1-[4-[4-(azepan-1-yl)-3-nitro-phenyl]sulfonyl-2-nitro-phenyl]azepane Formula: C24H30N4O6S MolecularWeight: 502.5832

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)C3=CC(=C(C=C3)N4CCCCCC4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)C3=CC(=C(C=C3)N4CCCCCC4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C24H30N4O6S/c29-27(30)23-17-19(9-11-21(23)25-13-5-1-2-6-14-25)35(33,34)20-10-12-22(24(18-20)28(31)32)26-15-7-3-4-8-16-26/h9-12,17-18H,1-8,13-16H2