N-(2-methylpropyl)-N-[3-[oxidanyl-(phenylmethyl)amino]propyl]-1,3-benzodioxole-5-sulfonamide

Systemtic Name: N-(2-methylpropyl)-N-[3-[oxidanyl-(phenylmethyl)amino]propyl]-1,3-benzodioxole-5-sulfonamide Openeye Name: N-[3-[benzyl(hydroxy)amino]propyl]-N-isobutyl-1,3-benzodioxole-5-sulfonamide CAS Name: N-[3-[hydroxy-(phenylmethyl)amino]propyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-sulfonamide IUPAC Name: N-[3-[benzyl(hydroxy)amino]propyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-sulfonamide Traditional Name: N-[3-[benzyl(hydroxy)amino]propyl]-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(CCCN(CC1=CC=CC=C1)O)S(=O)(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

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

InChI

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