N-(2-methylpropyl)-4-nitro-N-(2-oxidanyl-4-phenyl-butyl)benzenesulfonamide

Systemtic Name: N-(2-methylpropyl)-4-nitro-N-(2-oxidanyl-4-phenyl-butyl)benzenesulfonamide Openeye Name: N-(2-hydroxy-4-phenyl-butyl)-N-isobutyl-4-nitro-benzenesulfonamide CAS Name: N-(2-hydroxy-4-phenylbutyl)-N-(2-methylpropyl)-4-nitrobenzenesulfonamide IUPAC Name: N-(2-hydroxy-4-phenylbutyl)-N-(2-methylpropyl)-4-nitrobenzenesulfonamide Traditional Name: N-(2-hydroxy-4-phenyl-butyl)-N-isobutyl-4-nitro-benzenesulfonamide Formula: C20H26N2O5S MolecularWeight: 406.49584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(CCC1=CC=CC=C1)O)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CN(CC(CCC1=CC=CC=C1)O)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H26N2O5S/c1-16(2)14-21(15-19(23)11-8-17-6-4-3-5-7-17)28(26,27)20-12-9-18(10-13-20)22(24)25/h3-7,9-10,12-13,16,19,23H,8,11,14-15H2,1-2H3