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3-[(3-keto-4H-1,4-benzoxazin-6-yl)sulfonylamino]-4-piperidino-benzoic acid methyl ester
SpectraBase Compound ID 4iQeQmY49YZ
InChI InChI=1S/C21H23N3O6S/c1-29-21(26)14-5-7-18(24-9-3-2-4-10-24)16(11-14)23-31(27,28)15-6-8-19-17(12-15)22-20(25)13-30-19/h5-8,11-12,23H,2-4,9-10,13H2,1H3,(H,22,25)
InChIKey RFAFQEMEKWVIMG-UHFFFAOYSA-N
Mol Weight 445.49 g/mol
Molecular Formula C21H23N3O6S
Exact Mass 445.130757 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3MYidbCnazR
Name 3-[(3-keto-4H-1,4-benzoxazin-6-yl)sulfonylamino]-4-piperidino-benzoic acid methyl ester
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Formula C21H23N3O6S
InChI InChI=1S/C21H23N3O6S/c1-29-21(26)14-5-7-18(24-9-3-2-4-10-24)16(11-14)23-31(27,28)15-6-8-19-17(12-15)22-20(25)13-30-19/h5-8,11-12,23H,2-4,9-10,13H2,1H3,(H,22,25)
InChIKey RFAFQEMEKWVIMG-UHFFFAOYSA-N
Molecular Weight 445.490 g/mol
SMILES N1C(COc2ccc(S(=O)(=O)Nc3c(N4CCCCC4)ccc(C(OC)=O)c3)cc12)=O
SPLASH splash10-001i-2690000000-3483bbe88718a339c8ba
Synonyms 3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]-4-(1-piperidinyl)benzoic acid methyl ester Methyl 3-[(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)sulfonylamino]-4-piperidin-1-yl-benzoate Methyl 3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]-4-(1-piperidyl)benzoate Methyl 3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]-4-piperidin-1-ylbenzoate
Wiley ID 1512429