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

Systemtic Name: 4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-N-propan-2-yl-benzenesulfonamide Openeye Name: N-isopropyl-4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-benzenesulfonamide CAS Name: 4-[(1-methyl-2-imidazolyl)thio]-3-nitro-N-propan-2-ylbenzenesulfonamide IUPAC Name: 4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-N-propan-2-ylbenzenesulfonamide Traditional Name: N-isopropyl-4-[(1-methylimidazol-2-yl)thio]-3-nitro-benzenesulfonamide Formula: C13H16N4O4S2 MolecularWeight: 356.42054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)SC2=NC=CN2C)[N+](=O)[O-]

Isomeric SMILES

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)SC2=NC=CN2C)[N+](=O)[O-]

InChI

InChI=1S/C13H16N4O4S2/c1-9(2)15-23(20,21)10-4-5-12(11(8-10)17(18)19)22-13-14-6-7-16(13)3/h4-9,15H,1-3H3