4-hexadecylsulfonyl-N-[(3-methyl-2-nitro-imidazol-4-yl)methylideneamino]aniline

Systemtic Name: 4-hexadecylsulfonyl-N-[(3-methyl-2-nitro-imidazol-4-yl)methylideneamino]aniline Openeye Name: 4-hexadecylsulfonyl-N-[(3-methyl-2-nitro-imidazol-4-yl)methyleneamino]aniline CAS Name: 4-hexadecylsulfonyl-N-[(3-methyl-2-nitro-4-imidazolyl)methylideneamino]aniline IUPAC Name: 4-hexadecylsulfonyl-N-[(3-methyl-2-nitroimidazol-4-yl)methylideneamino]aniline Traditional Name: (4-cetylsulfonylphenyl)-[(3-methyl-2-nitro-imidazol-4-yl)methyleneamino]amine Formula: C27H43N5O4S MolecularWeight: 533.72642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H43N5O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-37(35,36)26-19-17-24(18-20-26)30-29-23-25-22-28-27(31(25)2)32(33)34/h17-20,22-23,30H,3-16,21H2,1-2H3