For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1-{[2-({4-[(dimethylamino)sulfonyl]benzoyl}amino)phenyl]sulfonyl}-2-pyrrolidinyl acetate
SpectraBase Compound ID Kt2VFohoXDW
InChI InChI=1S/C21H25N3O7S2/c1-15(25)31-20-9-6-14-24(20)33(29,30)19-8-5-4-7-18(19)22-21(26)16-10-12-17(13-11-16)32(27,28)23(2)3/h4-5,7-8,10-13,20H,6,9,14H2,1-3H3,(H,22,26)
InChIKey PTXWHZFQBDIHOD-UHFFFAOYSA-N
Mol Weight 495.57 g/mol
Molecular Formula C21H25N3O7S2
Exact Mass 495.113392 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID WEqSGKbzkw
Name 1-{[2-({4-[(dimethylamino)sulfonyl]benzoyl}amino)phenyl]sulfonyl}-2-pyrrolidinyl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25N3O7S2
InChI InChI=1S/C21H25N3O7S2/c1-15(25)31-20-9-6-14-24(20)33(29,30)19-8-5-4-7-18(19)22-21(26)16-10-12-17(13-11-16)32(27,28)23(2)3/h4-5,7-8,10-13,20H,6,9,14H2,1-3H3,(H,22,26)
InChIKey PTXWHZFQBDIHOD-UHFFFAOYSA-N
Molecular Weight 495.565 g/mol
SMILES N(c1c(S(=O)(=O)N2CCCC2OC(C)=O)cccc1)C(c1ccc(cc1)S(=O)(N(C)C)=O)=O
SPLASH splash10-00fu-9510000000-5b45bd4add8c000fe374
Synonyms Acetic acid, 1-[[2-[[4-[(dimethylamino)sulfonyl]benzoyl]amino]phenyl]sulfonyl]-2-pyrrolidinyl ester
Wiley ID 1512217