1-[[2,7-bis(azepan-1-ylsulfonyl)-4,5-dinitro-fluoren-9-ylidene]amino]urea

Systemtic Name: 1-[[2,7-bis(azepan-1-ylsulfonyl)-4,5-dinitro-fluoren-9-ylidene]amino]urea Openeye Name: [[2,7-bis(azepan-1-ylsulfonyl)-4,5-dinitro-fluoren-9-ylidene]amino]urea CAS Name: [[2,7-bis(1-azepanylsulfonyl)-4,5-dinitro-9-fluorenylidene]amino]urea IUPAC Name: [[2,7-bis(azepan-1-ylsulfonyl)-4,5-dinitrofluoren-9-ylidene]amino]urea Traditional Name: [[2,7-bis(azepan-1-ylsulfonyl)-4,5-dinitro-fluoren-9-ylidene]amino]urea Formula: C26H31N7O9S2 MolecularWeight: 649.69584

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C3C(=C2)C(=NNC(=O)N)C4=CC(=CC(=C43)[N+](=O)[O-])S(=O)(=O)N5CCCCCC5)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C3C(=C2)C(=NNC(=O)N)C4=CC(=CC(=C43)[N+](=O)[O-])S(=O)(=O)N5CCCCCC5)[N+](=O)[O-]

InChI

InChI=1S/C26H31N7O9S2/c27-26(34)29-28-25-19-13-17(43(39,40)30-9-5-1-2-6-10-30)15-21(32(35)36)23(19)24-20(25)14-18(16-22(24)33(37)38)44(41,42)31-11-7-3-4-8-12-31/h13-16H,1-12H2,(H3,27,29,34)