4-[(6-imidazol-1-ylpyridin-3-yl)methylamino]-N-methyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[(6-imidazol-1-ylpyridin-3-yl)methylamino]-N-methyl-3-nitro-benzenesulfonamide Openeye Name: 4-[(6-imidazol-1-yl-3-pyridyl)methylamino]-N-methyl-3-nitro-benzenesulfonamide CAS Name: 4-[[6-(1-imidazolyl)-3-pyridinyl]methylamino]-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[(6-imidazol-1-ylpyridin-3-yl)methylamino]-N-methyl-3-nitrobenzenesulfonamide Traditional Name: 4-[(6-imidazol-1-yl-3-pyridyl)methylamino]-N-methyl-3-nitro-benzenesulfonamide Formula: C16H16N6O4S MolecularWeight: 388.40104

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC(=C(C=C1)NCC2=CN=C(C=C2)N3C=CN=C3)[N+](=O)[O-]

Isomeric SMILES

CNS(=O)(=O)C1=CC(=C(C=C1)NCC2=CN=C(C=C2)N3C=CN=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H16N6O4S/c1-17-27(25,26)13-3-4-14(15(8-13)22(23)24)19-9-12-2-5-16(20-10-12)21-7-6-18-11-21/h2-8,10-11,17,19H,9H2,1H3