N-[(3-methyl-2-nitro-imidazol-4-yl)methylideneamino]hexadecane-1-sulfonamide

Systemtic Name: N-[(3-methyl-2-nitro-imidazol-4-yl)methylideneamino]hexadecane-1-sulfonamide Openeye Name: N-[(3-methyl-2-nitro-imidazol-4-yl)methyleneamino]hexadecane-1-sulfonamide CAS Name: N-[(3-methyl-2-nitro-4-imidazolyl)methylideneamino]-1-hexadecanesulfonamide IUPAC Name: N-[(3-methyl-2-nitroimidazol-4-yl)methylideneamino]hexadecane-1-sulfonamide Traditional Name: N-[(3-methyl-2-nitro-imidazol-4-yl)methyleneamino]hexadecane-1-sulfonamide Formula: C21H39N5O4S MolecularWeight: 457.63046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCS(=O)(=O)NN=CC1=CN=C(N1C)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCS(=O)(=O)NN=CC1=CN=C(N1C)[N+](=O)[O-]

InChI

InChI=1S/C21H39N5O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-31(29,30)24-23-19-20-18-22-21(25(20)2)26(27)28/h18-19,24H,3-17H2,1-2H3