2-[2,7-bis(azepan-1-ylsulfonyl)fluoren-9-ylidene]propanedinitrile

Systemtic Name: 2-[2,7-bis(azepan-1-ylsulfonyl)fluoren-9-ylidene]propanedinitrile Openeye Name: 2-[2,7-bis(azepan-1-ylsulfonyl)fluoren-9-ylidene]propanedinitrile CAS Name: 2-[2,7-bis(1-azepanylsulfonyl)-9-fluorenylidene]propanedinitrile IUPAC Name: 2-[2,7-bis(azepan-1-ylsulfonyl)fluoren-9-ylidene]propanedinitrile Traditional Name: 2-[2,7-bis(azepan-1-ylsulfonyl)fluoren-9-ylidene]malononitrile Formula: C28H30N4O4S2 MolecularWeight: 550.6922

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)C4=C(C3=C(C#N)C#N)C=C(C=C4)S(=O)(=O)N5CCCCCC5

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)C4=C(C3=C(C#N)C#N)C=C(C=C4)S(=O)(=O)N5CCCCCC5

InChI

InChI=1S/C28H30N4O4S2/c29-19-21(20-30)28-26-17-22(37(33,34)31-13-5-1-2-6-14-31)9-11-24(26)25-12-10-23(18-27(25)28)38(35,36)32-15-7-3-4-8-16-32/h9-12,17-18H,1-8,13-16H2