N4-hexadecyl-N4-methyl-N1-[(3-methyl-2-nitro-imidazol-4-yl)methylideneamino]benzene-1,4-disulfonamide

Systemtic Name: N4-hexadecyl-N4-methyl-N1-[(3-methyl-2-nitro-imidazol-4-yl)methylideneamino]benzene-1,4-disulfonamide Openeye Name: N4-hexadecyl-N4-methyl-N1-[(3-methyl-2-nitro-imidazol-4-yl)methyleneamino]benzene-1,4-disulfonamide CAS Name: N4-hexadecyl-N4-methyl-N1-[(3-methyl-2-nitro-4-imidazolyl)methylideneamino]benzene-1,4-disulfonamide IUPAC Name: 4-N-hexadecyl-4-N-methyl-1-N-[(3-methyl-2-nitroimidazol-4-yl)methylideneamino]benzene-1,4-disulfonamide Traditional Name: N'-cetyl-N'-methyl-N-[(3-methyl-2-nitro-imidazol-4-yl)methyleneamino]benzene-1,4-disulfonamide Formula: C28H46N6O6S2 MolecularWeight: 626.83144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN(C)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NN=CC2=CN=C(N2C)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCN(C)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NN=CC2=CN=C(N2C)[N+](=O)[O-]

InChI

InChI=1S/C28H46N6O6S2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-32(2)42(39,40)27-20-18-26(19-21-27)41(37,38)31-30-24-25-23-29-28(33(25)3)34(35)36/h18-21,23-24,31H,4-17,22H2,1-3H3