N-[(2R,3S)-3-azanyl-2-oxidanyl-non-8-enyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-sulfonamide

Systemtic Name: N-[(2R,3S)-3-azanyl-2-oxidanyl-non-8-enyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-sulfonamide Openeye Name: N-[(2R,3S)-3-amino-2-hydroxy-non-8-enyl]-N-isobutyl-1,3-benzodioxole-5-sulfonamide CAS Name: N-[(2R,3S)-3-amino-2-hydroxynon-8-enyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-sulfonamide IUPAC Name: N-[(2R,3S)-3-amino-2-hydroxynon-8-enyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-sulfonamide Traditional Name: N-[(2R,3S)-3-amino-2-hydroxy-non-8-enyl]-N-isobutyl-1,3-benzodioxole-5-sulfonamide Formula: C20H32N2O5S MolecularWeight: 412.54348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C(CCCCC=C)N)O)S(=O)(=O)C1=CC2=C(C=C1)OCO2

Isomeric SMILES

CC(C)CN(C[C@H]([C@H](CCCCC=C)N)O)S(=O)(=O)C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C20H32N2O5S/c1-4-5-6-7-8-17(21)18(23)13-22(12-15(2)3)28(24,25)16-9-10-19-20(11-16)27-14-26-19/h4,9-11,15,17-18,23H,1,5-8,12-14,21H2,2-3H3/t17-,18+/m0/s1