N-{2-[1,3-Benzothiazol-2-yl(cyano)methyl]cyclohexyl}-4-methylbenzenesulfonamide

SpectraBase Compound ID	5V3Uq2ONwue
InChI	InChI=1S/C22H23N3O2S2/c1-15-10-12-16(13-11-15)29(26,27)25-19-7-3-2-6-17(19)18(14-23)22-24-20-8-4-5-9-21(20)28-22/h4-5,8-13,17-19,25H,2-3,6-7H2,1H3/t17-,18-,19+/m1/s1
InChIKey	HWEPNITYUKAYCO-QRVBRYPASA-N Google Search
Mol Weight	425.57 g/mol
Molecular Formula	C22H23N3O2S2
Exact Mass	425.123169 g/mol

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SpectraBase Spectrum ID	56Y2s6EU9wS
Name	N-{2-[1,3-Benzothiazol-2-yl(cyano)methyl]cyclohexyl}-4-methylbenzenesulfonamide
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C22H23N3O2S2
InChI	InChI=1S/C22H23N3O2S2/c1-15-10-12-16(13-11-15)29(26,27)25-19-7-3-2-6-17(19)18(14-23)22-24-20-8-4-5-9-21(20)28-22/h4-5,8-13,17-19,25H,2-3,6-7H2,1H3/t17-,18-,19+/m1/s1
InChIKey	HWEPNITYUKAYCO-QRVBRYPASA-N
Literature Reference DOI	10.1021/ol7015302
Molecular Weight	425.565 g/mol
SMILES	N([C@@]1([H])CCCC[C@@]1([C@@](C#N)(c1nc2c(s1)cccc2)[H])[H])S(=O)(=O)c1ccc(cc1)C
SPLASH	splash10-006w-9330100000-d67b72fc224cc30e49d3
Source of Spectrum	A1-9-4677/SM4-3b
Synonyms	N-((1S,2R)-2-((S)-benzo[d]thiazol-2-yl(cyano)methyl)cyclohexyl)-4-methylbenzenesulfonamide
Wiley ID	1758570