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

Systemtic Name: N-(3-azanyl-2-oxidanyl-4-phenyl-butyl)-N-(2-methylpropyl)-1,3-benzodioxole-5-sulfonamide Openeye Name: N-(3-amino-2-hydroxy-4-phenyl-butyl)-N-isobutyl-1,3-benzodioxole-5-sulfonamide CAS Name: N-(3-amino-2-hydroxy-4-phenylbutyl)-N-(2-methylpropyl)-1,3-benzodioxole-5-sulfonamide IUPAC Name: N-(3-amino-2-hydroxy-4-phenylbutyl)-N-(2-methylpropyl)-1,3-benzodioxole-5-sulfonamide Traditional Name: N-(3-amino-2-hydroxy-4-phenyl-butyl)-N-isobutyl-1,3-benzodioxole-5-sulfonamide Formula: C21H28N2O5S MolecularWeight: 420.52242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O5S/c1-15(2)12-23(13-19(24)18(22)10-16-6-4-3-5-7-16)29(25,26)17-8-9-20-21(11-17)28-14-27-20/h3-9,11,15,18-19,24H,10,12-14,22H2,1-2H3