3-[[3-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]phenyl]sulfonylamino]benzoic acid

SpectraBase Compound ID	9midBaJbYln
InChI	InChI=1S/C24H21N3O5S2/c1-14-8-9-19-20(13-25)23(33-21(19)10-14)26-22(28)15-4-3-7-18(12-15)34(31,32)27-17-6-2-5-16(11-17)24(29)30/h2-7,11-12,14,27H,8-10H2,1H3,(H,26,28)(H,29,30)
InChIKey	HETVTOOYSHCQGK-UHFFFAOYSA-N Google Search
Mol Weight	495.57 g/mol
Molecular Formula	C24H21N3O5S2
Exact Mass	495.092263 g/mol

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SpectraBase Spectrum ID	272Rdd0Q8zc
Name	3-[[3-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]phenyl]sulfonylamino]benzoic acid
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C24H21N3O5S2
InChI	InChI=1S/C24H21N3O5S2/c1-14-8-9-19-20(13-25)23(33-21(19)10-14)26-22(28)15-4-3-7-18(12-15)34(31,32)27-17-6-2-5-16(11-17)24(29)30/h2-7,11-12,14,27H,8-10H2,1H3,(H,26,28)(H,29,30)
InChIKey	HETVTOOYSHCQGK-UHFFFAOYSA-N
Molecular Weight	495.568 g/mol
SMILES	N(c1c(c2CCC(Cc2s1)C)C#N)C(c1cc(S(Nc2cc(C(=O)O)ccc2)(=O)=O)ccc1)=O
SPLASH	splash10-0udi-2918100000-07effc5eda90d911a4e3
Synonyms	3-[[3-[(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]phenyl]sulfonylamino]benzoic acid 3-[[3-[[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-oxomethyl]phenyl]sulfonylamino]benzoic acid
Wiley ID	1442163