N-[9'-Deoxy-epicinchonin-9'-yl]-4-methylbenezenesulfonamide

SpectraBase Compound ID	GeqkokBrrK3
InChI	InChI=1S/C26H29N3O2S/c1-3-19-17-29-15-13-20(19)16-25(29)26(23-12-14-27-24-7-5-4-6-22(23)24)28-32(30,31)21-10-8-18(2)9-11-21/h3-12,14,19-20,25-26,28H,1,13,15-17H2,2H3/t19-,20-,25+,26+/m0/s1
InChIKey	QWGLARSAVFCFAV-JZKJUIAGSA-N Google Search
Mol Weight	447.6 g/mol
Molecular Formula	C26H29N3O2S
Exact Mass	447.198048 g/mol

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SpectraBase Spectrum ID	6NXgYLmazcT
Name	N-[9'-Deoxy-epicinchonin-9'-yl]-4-methylbenezenesulfonamide
Alternate Name(s)	N-[(R)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(4-quinolinyl)methyl]-4-methylbenzenesulfonamide N-[(R)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethyl]-4-methylbenzenesulfonamide N-[(R)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-yl-methyl]-4-methyl-benzenesulfonamide
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C26H29N3O2S
InChI	InChI=1S/C26H29N3O2S/c1-3-19-17-29-15-13-20(19)16-25(29)26(23-12-14-27-24-7-5-4-6-22(23)24)28-32(30,31)21-10-8-18(2)9-11-21/h3-12,14,19-20,25-26,28H,1,13,15-17H2,2H3/t19-,20-,25+,26+/m0/s1
InChIKey	QWGLARSAVFCFAV-JZKJUIAGSA-N
Molecular Weight	447.597 g/mol
SMILES	N([C@@]([C@@]1(N2C[C@@]([C@](C1)(CC2)[H])(C=C)[H])[H])(c1c2c(cccc2)ncc1)[H])S(c1ccc(cc1)C)(=O)=O
SPLASH	splash10-000i-0900200000-40dbaaac6f35846ff9c6
Source of Spectrum	K1-2003-2860-38
Wiley ID	1521351