(9E)-9-(aminocarbonylhydrazinylidene)-7-[(S)-azepan-1-ylsulfinyl]fluorene-2-sulfinate

Systemtic Name: (9E)-9-(aminocarbonylhydrazinylidene)-7-[(S)-azepan-1-ylsulfinyl]fluorene-2-sulfinate Openeye Name: (9E)-7-[(S)-azepan-1-ylsulfinyl]-9-(carbamoylhydrazono)fluorene-2-sulfinate CAS Name: (9E)-7-[(S)-1-azepanylsulfinyl]-9-(carbamoylhydrazinylidene)-2-fluorenesulfinate IUPAC Name: (9E)-7-[(S)-azepan-1-ylsulfinyl]-9-(carbamoylhydrazinylidene)fluorene-2-sulfinate Traditional Name: (9E)-7-[(S)-azepan-1-ylsulfinyl]-9-semicarbazono-fluorene-2-sulfinate Formula: C20H21N4O4S2- MolecularWeight: 445.53514

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)C2=CC3=C(C=C2)C4=C(C3=NNC(=O)N)C=C(C=C4)S(=O)[O-]

Isomeric SMILES

C1CCCN(CC1)[S@@](=O)C2=CC\3=C(C=C2)C4=C(/C3=N/NC(=O)N)C=C(C=C4)S(=O)[O-]

InChI

InChI=1S/C20H22N4O4S2/c21-20(25)23-22-19-17-11-13(29(26)24-9-3-1-2-4-10-24)5-7-15(17)16-8-6-14(30(27)28)12-18(16)19/h5-8,11-12H,1-4,9-10H2,(H,27,28)(H3,21,23,25)/p-1/b22-19+/t29-/m0/s1