7-Benzoyloxy-4-(4'-chlorophenylsulphonyl)-4-azatetracyclo[3.3.0.0(2,8).0(3,6)]octane

SpectraBase Compound ID	E9Ru19quJJG
InChI	InChI=1S/C20H16ClNO4S/c21-11-6-8-12(9-7-11)27(24,25)22-17-13-14-15(13)19(16(17)18(14)22)26-20(23)10-4-2-1-3-5-10/h1-9,13-19H/t13-,14?,15-,16+,17-,18+,19+/m0/s1
InChIKey	AGIVCFQAFHPFTB-DFKONARKSA-N Google Search
Mol Weight	401.86 g/mol
Molecular Formula	C20H16ClNO4S
Exact Mass	401.048857 g/mol

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SpectraBase Spectrum ID	73QY8wtKP9b
Name	7-Benzoyloxy-4-(4'-chlorophenylsulphonyl)-4-azatetracyclo[3.3.0.0(2,8).0(3,6)]octane
Alternate Name(s)	4-[(4-chlorophenyl)sulfonyl]-4-azatetracyclo[3.3.0.0(2,8).0(3,6)]oct-7-yl benzoate
CAS Registry Number	136708-62-8
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C20H16ClNO4S
InChI	InChI=1S/C20H16ClNO4S/c21-11-6-8-12(9-7-11)27(24,25)22-17-13-14-15(13)19(16(17)18(14)22)26-20(23)10-4-2-1-3-5-10/h1-9,13-19H/t13-,14?,15-,16+,17-,18+,19+/m0/s1
InChIKey	AGIVCFQAFHPFTB-DFKONARKSA-N
Molecular Weight	401.864 g/mol
SMILES	c1(S(N2[C@@]3(C4[C@@]5([C@]2([C@]3([C@](OC(=O)c2ccccc2)([C@]45[H])[H])[H])[H])[H])[H])(=O)=O)ccc(cc1)Cl
SPLASH	splash10-0a4i-0900000000-8322d4e5f237c9ce83a3
Source of Spectrum	K-124-2891-1
Wiley ID	1369924