2-hexadecylsulfonyl-N-oxidanyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-hexadecylsulfonyl-N-oxidanyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-hexadecylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carbohydroxamic acid CAS Name: 2-hexadecylsulfonyl-N-hydroxy-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-hexadecylsulfonyl-N-hydroxy-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-cetylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carbohydroxamic acid Formula: C26H44N2O4S MolecularWeight: 480.70356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NO

Isomeric SMILES

CCCCCCCCCCCCCCCCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NO

InChI

InChI=1S/C26H44N2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-33(31,32)28-22-24-19-16-15-18-23(24)21-25(28)26(29)27-30/h15-16,18-19,25,30H,2-14,17,20-22H2,1H3,(H,27,29)