N-(4-methoxyphenyl)-4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-benzenesulfonamide

Systemtic Name: N-(4-methoxyphenyl)-4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-benzenesulfonamide Openeye Name: N-(4-methoxyphenyl)-4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-benzenesulfonamide CAS Name: N-(4-methoxyphenyl)-4-[(1-methyl-2-imidazolyl)thio]-3-nitrobenzenesulfonamide IUPAC Name: N-(4-methoxyphenyl)-4-(1-methylimidazol-2-yl)sulfanyl-3-nitrobenzenesulfonamide Traditional Name: N-(4-methoxyphenyl)-4-[(1-methylimidazol-2-yl)thio]-3-nitro-benzenesulfonamide Formula: C17H16N4O5S2 MolecularWeight: 420.46274

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CN1C=CN=C1SC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O5S2/c1-20-10-9-18-17(20)27-16-8-7-14(11-15(16)21(22)23)28(24,25)19-12-3-5-13(26-2)6-4-12/h3-11,19H,1-2H3