2-methyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-5-nitro-benzenesulfonamide

Systemtic Name: 2-methyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-5-nitro-benzenesulfonamide Openeye Name: 2-methyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-5-nitro-benzenesulfonamide CAS Name: 2-methyl-N-[4-[(1-methyl-2-imidazolyl)thio]phenyl]-5-nitrobenzenesulfonamide IUPAC Name: 2-methyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-5-nitrobenzenesulfonamide Traditional Name: 2-methyl-N-[4-[(1-methylimidazol-2-yl)thio]phenyl]-5-nitro-benzenesulfonamide Formula: C17H16N4O4S2 MolecularWeight: 404.46334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)SC3=NC=CN3C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)SC3=NC=CN3C

InChI

InChI=1S/C17H16N4O4S2/c1-12-3-6-14(21(22)23)11-16(12)27(24,25)19-13-4-7-15(8-5-13)26-17-18-9-10-20(17)2/h3-11,19H,1-2H3