N-(3-methyl-2-oxidanyl-4-phenyl-butyl)-N-(2-methylpropyl)-4-nitro-benzenesulfonamide

Systemtic Name: N-(3-methyl-2-oxidanyl-4-phenyl-butyl)-N-(2-methylpropyl)-4-nitro-benzenesulfonamide Openeye Name: N-(2-hydroxy-3-methyl-4-phenyl-butyl)-N-isobutyl-4-nitro-benzenesulfonamide CAS Name: N-(2-hydroxy-3-methyl-4-phenylbutyl)-N-(2-methylpropyl)-4-nitrobenzenesulfonamide IUPAC Name: N-(2-hydroxy-3-methyl-4-phenylbutyl)-N-(2-methylpropyl)-4-nitrobenzenesulfonamide Traditional Name: N-(2-hydroxy-3-methyl-4-phenyl-butyl)-N-isobutyl-4-nitro-benzenesulfonamide Formula: C21H28N2O5S MolecularWeight: 420.52242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C(C)CC1=CC=CC=C1)O)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CN(CC(C(C)CC1=CC=CC=C1)O)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H28N2O5S/c1-16(2)14-22(15-21(24)17(3)13-18-7-5-4-6-8-18)29(27,28)20-11-9-19(10-12-20)23(25)26/h4-12,16-17,21,24H,13-15H2,1-3H3