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

Systemtic Name: N,N-diethyl-4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[(1-methyl-2-imidazolyl)thio]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-(1-methylimidazol-2-yl)sulfanyl-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[(1-methylimidazol-2-yl)thio]-3-nitro-benzenesulfonamide Formula: C14H18N4O4S2 MolecularWeight: 370.44712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N4O4S2/c1-4-17(5-2)24(21,22)11-6-7-13(12(10-11)18(19)20)23-14-15-8-9-16(14)3/h6-10H,4-5H2,1-3H3