2-methoxy-N-(3-methyl-2-phenyl-butyl)-5-nitro-benzenesulfonamide

Systemtic Name: 2-methoxy-N-(3-methyl-2-phenyl-butyl)-5-nitro-benzenesulfonamide Openeye Name: 2-methoxy-N-(3-methyl-2-phenyl-butyl)-5-nitro-benzenesulfonamide CAS Name: 2-methoxy-N-(3-methyl-2-phenylbutyl)-5-nitrobenzenesulfonamide IUPAC Name: 2-methoxy-N-(3-methyl-2-phenylbutyl)-5-nitrobenzenesulfonamide Traditional Name: 2-methoxy-N-(3-methyl-2-phenyl-butyl)-5-nitro-benzenesulfonamide Formula: C18H22N2O5S MolecularWeight: 378.44268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])OC)C2=CC=CC=C2

Isomeric SMILES

CC(C)C(CNS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])OC)C2=CC=CC=C2

InChI

InChI=1S/C18H22N2O5S/c1-13(2)16(14-7-5-4-6-8-14)12-19-26(23,24)18-11-15(20(21)22)9-10-17(18)25-3/h4-11,13,16,19H,12H2,1-3H3