benzoic acid, 4-[[[(3aR,4S,9bS)-4-(4-chlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]sulfonyl]amino]-

SpectraBase Compound ID	FXR242e57ft
InChI	InChI=1S/C25H21ClN2O4S/c26-17-8-4-15(5-9-17)24-21-3-1-2-20(21)22-14-19(12-13-23(22)27-24)33(31,32)28-18-10-6-16(7-11-18)25(29)30/h1-2,4-14,20-21,24,27-28H,3H2,(H,29,30)
InChIKey	MKHLHZXTUGWPHE-UHFFFAOYSA-N Google Search
Mol Weight	480.97 g/mol
Molecular Formula	C25H21ClN2O4S
Exact Mass	480.091056 g/mol

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SpectraBase Spectrum ID	970df5xsgsU
Name	benzoic acid, 4-[[[(3aR,4S,9bS)-4-(4-chlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]sulfonyl]amino]-
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C25H21ClN2O4S/c26-17-8-4-15(5-9-17)24-21-3-1-2-20(21)22-14-19(12-13-23(22)27-24)33(31,32)28-18-10-6-16(7-11-18)25(29)30/h1-2,4-14,20-21,24,27-28H,3H2,(H,29,30)
InChIKey	MKHLHZXTUGWPHE-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB3_9000_4943
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	DMSO-d6
Source File Reference	VendorID: NMR/12218087