N-(3-imidazol-1-ylpropyl)-4-methyl-3-nitro-benzenesulfonamide

Systemtic Name: N-(3-imidazol-1-ylpropyl)-4-methyl-3-nitro-benzenesulfonamide Openeye Name: N-(3-imidazol-1-ylpropyl)-4-methyl-3-nitro-benzenesulfonamide CAS Name: N-[3-(1-imidazolyl)propyl]-4-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-(3-imidazol-1-ylpropyl)-4-methyl-3-nitrobenzenesulfonamide Traditional Name: N-(3-imidazol-1-ylpropyl)-4-methyl-3-nitro-benzenesulfonamide Formula: C13H16N4O4S MolecularWeight: 324.35554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCCCN2C=CN=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCCCN2C=CN=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H16N4O4S/c1-11-3-4-12(9-13(11)17(18)19)22(20,21)15-5-2-7-16-8-6-14-10-16/h3-4,6,8-10,15H,2,5,7H2,1H3