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2-[4-(4,5-Dihydro-3H-imidazol-2-ylamino)-benzyl]-5-(4-methansulfonyl-piperazin-1-yl)-2,3-dihydro-1Hinden-1-one
SpectraBase Compound ID 8Dn72IOh699
InChI InChI=1S/C24H29N5O3S/c1-33(31,32)29-12-10-28(11-13-29)21-6-7-22-18(16-21)15-19(23(22)30)14-17-2-4-20(5-3-17)27-24-25-8-9-26-24/h2-7,16,19H,8-15H2,1H3,(H2,25,26,27)
InChIKey JWKIDBTXXJPHPP-UHFFFAOYSA-N
Mol Weight 467.59 g/mol
Molecular Formula C24H29N5O3S
Exact Mass 467.199111 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BK2KbNyJHPa
Name 2-[4-(4,5-Dihydro-3H-imidazol-2-ylamino)-benzyl]-5-(4-methansulfonyl-piperazin-1-yl)-2,3-dihydro-1Hinden-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H29N5O3S
InChI InChI=1S/C24H29N5O3S/c1-33(31,32)29-12-10-28(11-13-29)21-6-7-22-18(16-21)15-19(23(22)30)14-17-2-4-20(5-3-17)27-24-25-8-9-26-24/h2-7,16,19H,8-15H2,1H3,(H2,25,26,27)
InChIKey JWKIDBTXXJPHPP-UHFFFAOYSA-N
Molecular Weight 467.588 g/mol
SMILES N(c1ccc(CC2C(c3ccc(cc3C2)N2CCN(CC2)S(C)(=O)=O)=O)cc1)C=1NCCN1
SPLASH splash10-066r-0593000000-7efc39be2dc896c2e77c
Source of Spectrum QA-55-853-16
Synonyms 2-(4-((4,5-dihydro-1H-imidazol-2-yl)amino)benzyl)-5-(4-(methylsulfonyl)piperazin-1-yl)-2,3-dihydro-1H-inden-1-one
Wiley ID 1796397