N,N-dimethyl-3-nitro-4-(2-oxidanyl-2-phenyl-ethyl)benzenesulfonamide

Systemtic Name: N,N-dimethyl-3-nitro-4-(2-oxidanyl-2-phenyl-ethyl)benzenesulfonamide Openeye Name: 4-(2-hydroxy-2-phenyl-ethyl)-N,N-dimethyl-3-nitro-benzenesulfonamide CAS Name: 4-(2-hydroxy-2-phenylethyl)-N,N-dimethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-(2-hydroxy-2-phenylethyl)-N,N-dimethyl-3-nitrobenzenesulfonamide Traditional Name: 4-(2-hydroxy-2-phenyl-ethyl)-N,N-dimethyl-3-nitro-benzenesulfonamide Formula: C16H18N2O5S MolecularWeight: 350.38952

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)CC(C2=CC=CC=C2)O)[N+](=O)[O-]

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)CC(C2=CC=CC=C2)O)[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O5S/c1-17(2)24(22,23)14-9-8-13(15(11-14)18(20)21)10-16(19)12-6-4-3-5-7-12/h3-9,11,16,19H,10H2,1-2H3