N-(3-methyl-1-phenyl-butyl)-4-nitro-benzenesulfonamide

Systemtic Name: N-(3-methyl-1-phenyl-butyl)-4-nitro-benzenesulfonamide Openeye Name: N-(3-methyl-1-phenyl-butyl)-4-nitro-benzenesulfonamide CAS Name: N-(3-methyl-1-phenylbutyl)-4-nitrobenzenesulfonamide IUPAC Name: N-(3-methyl-1-phenylbutyl)-4-nitrobenzenesulfonamide Traditional Name: N-(3-methyl-1-phenyl-butyl)-4-nitro-benzenesulfonamide Formula: C17H20N2O4S MolecularWeight: 348.4167

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O4S/c1-13(2)12-17(14-6-4-3-5-7-14)18-24(22,23)16-10-8-15(9-11-16)19(20)21/h3-11,13,17-18H,12H2,1-2H3