4-[[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-nitro-benzenesulfonamide Openeye Name: 4-[[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-nitro-benzenesulfonamide CAS Name: 4-[[(2-fluorophenyl)-(1-methyl-2-imidazolyl)methyl]amino]-3-nitrobenzenesulfonamide IUPAC Name: 4-[[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-nitrobenzenesulfonamide Traditional Name: 4-[[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-nitro-benzenesulfonamide Formula: C17H16FN5O4S MolecularWeight: 405.403443

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(C2=CC=CC=C2F)NC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CN1C=CN=C1C(C2=CC=CC=C2F)NC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C17H16FN5O4S/c1-22-9-8-20-17(22)16(12-4-2-3-5-13(12)18)21-14-7-6-11(28(19,26)27)10-15(14)23(24)25/h2-10,16,21H,1H3,(H2,19,26,27)