4-{[(3S)-3-{[(7-Methoxy-2-Naphthyl)Sulfonyl](Methyl)Amino}-2-Oxo-1-Pyrrolidinyl]Methyl}-2-Thiophenecarboximidamide

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Properties Simple | Detailed

Formula C22H24N4O4S2
IUPAC Name [azaniumylidene-[4-[[(3s)-3-[(7-methoxy-2-naphthyl)sulfonyl-methyl-amino]-2-oxo-pyrrolidin-1-yl]methyl]-2-thienyl]methyl]azanide
Molecular Mass 472.580 g·mol−1
Heat of Formation -289.1 ± 16.7 kJ·mol−1
Dipole Moment 9.55 ± 1.08 D
Volume 532.83 Å 3
Surface Area 437.75 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy 1.76 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[[(3s)-2-keto-3-[(7-methoxy-2-naphthyl)sulfonyl-methyl-amino]pyrrolidin-1-yl]methyl]thiophene-2-carboxamidine
  • 4-[[(3s)-3-[(7-methoxy-2-naphthyl)sulfonyl-methyl-amino]-2-oxo-pyrrolidin-1-yl]methyl]thiophene-2-carboxamidine
  • 4-[[(3s)-3-[(7-methoxy-2-naphthyl)sulfonyl-methylamino]-2-oxo-1-pyrrolidinyl]methyl]-2-thiophenecarboxamidine
  • 4-[[(3s)-3-[(7-methoxynaphthalen-2-yl)sulfonyl-methyl-amino]-2-oxo-pyrrolidin-1-yl]methyl]thiophene-2-carboximidamide
  • 4-[[(3s)-3-[(7-methoxynaphthalen-2-yl)sulfonyl-methylamino]-2-oxopyrrolidin-1-yl]methyl]thiophene-2-carboximidamide
InChIKey YQYYTNCSSDRJHZ-IBGZPJMESA-N
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