N-[4-[4,5-diisocyano-2-(2-propanoylhydrazinyl)phenyl]sulfonylphenyl]methanesulfonamide

Systemtic Name: N-[4-[4,5-diisocyano-2-(2-propanoylhydrazinyl)phenyl]sulfonylphenyl]methanesulfonamide Openeye Name: N-[4-[4,5-diisocyano-2-(2-propanoylhydrazino)phenyl]sulfonylphenyl]methanesulfonamide CAS Name: N-[4-[4,5-diisocyano-2-(1-oxopropylhydrazo)phenyl]sulfonylphenyl]methanesulfonamide IUPAC Name: N-[4-[4,5-diisocyano-2-(2-propanoylhydrazinyl)phenyl]sulfonylphenyl]methanesulfonamide Traditional Name: N-[4-[4,5-diisocyano-2-(N'-propionylhydrazino)phenyl]sulfonylphenyl]methanesulfonamide Formula: C18H17N5O5S2 MolecularWeight: 447.48808

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NNC1=C(C=C(C(=C1)[N+]#[C-])[N+]#[C-])S(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C

Isomeric SMILES

CCC(=O)NNC1=C(C=C(C(=C1)[N+]#[C-])[N+]#[C-])S(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C

InChI

InChI=1S/C18H17N5O5S2/c1-5-18(24)22-21-16-10-14(19-2)15(20-3)11-17(16)30(27,28)13-8-6-12(7-9-13)23-29(4,25)26/h6-11,21,23H,5H2,1,4H3,(H,22,24)