6-Chloro-N-[(3S)-1-(5-Fluoro-1,2,3,4-Tetrahydro-6-Isoquinolinyl)-2-Oxo-3-Pyrrolidinyl]-2-Naphthalenesulfonamide

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Properties Simple | Detailed

Formula C23H21ClFN3O3S
IUPAC Name 6-chloro-n-[(3s)-1-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-oxo-pyrrolidin-3-yl]naphthalene-2-sulfonamide
Molecular Mass 473.948 g·mol−1
Heat of Formation -462.7 ± 16.7 kJ·mol−1
Dipole Moment 5.61 ± 1.08 D
Volume 505.33 Å 3
Surface Area 385.75 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy 1.96 ± eV
Point Group Symmetry C1
Synonyms
  • 6-chloro-n-[(3s)-1-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-keto-pyrrolidin-3-yl]naphthalene-2-sulfonamide
  • 6-chloro-n-[(3s)-1-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-oxo-3-pyrrolidinyl]-2-naphthalenesulfonamide
  • 6-chloro-n-[(3s)-1-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-oxo-pyrrolidin-3-yl]naphthalene-2-sulfonamide
  • 6-chloro-n-[(3s)-1-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
InChIKey BJOZEZZETKKCMQ-FQEVSTJZSA-N
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