2-methyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-3-nitro-benzenesulfonamide

Systemtic Name: 2-methyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-3-nitro-benzenesulfonamide Openeye Name: 2-methyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-3-nitro-benzenesulfonamide CAS Name: 2-methyl-N-[4-[(1-methyl-2-imidazolyl)thio]phenyl]-3-nitrobenzenesulfonamide IUPAC Name: 2-methyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-3-nitrobenzenesulfonamide Traditional Name: 2-methyl-N-[4-[(1-methylimidazol-2-yl)thio]phenyl]-3-nitro-benzenesulfonamide Formula: C17H16N4O4S2 MolecularWeight: 404.46334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1S(=O)(=O)NC2=CC=C(C=C2)SC3=NC=CN3C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1S(=O)(=O)NC2=CC=C(C=C2)SC3=NC=CN3C)[N+](=O)[O-]

InChI

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