N-(3-methyl-2-oxidanyl-4-phenyl-butyl)-N-(2-methylpropyl)-1,3-benzodioxole-5-sulfonamide

Systemtic Name: N-(3-methyl-2-oxidanyl-4-phenyl-butyl)-N-(2-methylpropyl)-1,3-benzodioxole-5-sulfonamide Openeye Name: N-(2-hydroxy-3-methyl-4-phenyl-butyl)-N-isobutyl-1,3-benzodioxole-5-sulfonamide CAS Name: N-(2-hydroxy-3-methyl-4-phenylbutyl)-N-(2-methylpropyl)-1,3-benzodioxole-5-sulfonamide IUPAC Name: N-(2-hydroxy-3-methyl-4-phenylbutyl)-N-(2-methylpropyl)-1,3-benzodioxole-5-sulfonamide Traditional Name: N-(2-hydroxy-3-methyl-4-phenyl-butyl)-N-isobutyl-1,3-benzodioxole-5-sulfonamide Formula: C22H29NO5S MolecularWeight: 419.53436

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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=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)CN(CC(C(C)CC1=CC=CC=C1)O)S(=O)(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C22H29NO5S/c1-16(2)13-23(14-20(24)17(3)11-18-7-5-4-6-8-18)29(25,26)19-9-10-21-22(12-19)28-15-27-21/h4-10,12,16-17,20,24H,11,13-15H2,1-3H3