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Pentanamide, N-[5-[(butylsulfonyl)amino]-2-chlorophenyl]-2-[[4-[ethyl[2-[(methylsulfonyl)amino]ethyl]amino]-2-methylphenyl]imino]-4,4-dimethyl-3-oxo-
SpectraBase Compound ID AsrpwMhu3T0
InChI InChI=1S/C29H42ClN5O6S2/c1-8-10-17-43(40,41)34-21-11-13-23(30)25(19-21)33-28(37)26(27(36)29(4,5)6)32-24-14-12-22(18-20(24)3)35(9-2)16-15-31-42(7,38)39/h11-14,18-19,31,34H,8-10,15-17H2,1-7H3,(H,33,37)/b32-26+
InChIKey VDANDBBALOYQMS-HMZBKAONSA-N
Mol Weight 656.3 g/mol
Molecular Formula C29H42ClN5O6S2
Exact Mass 655.226504 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2rlWRx4AdOq
Name Pentanamide, N-[5-[(butylsulfonyl)amino]-2-chlorophenyl]-2-[[4-[ethyl[2-[(methylsulfonyl)amino]ethyl]amino]-2-methylphenyl]imino]-4,4-dimethyl-3-oxo-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H42ClN5O6S2
InChI InChI=1S/C29H42ClN5O6S2/c1-8-10-17-43(40,41)34-21-11-13-23(30)25(19-21)33-28(37)26(27(36)29(4,5)6)32-24-14-12-22(18-20(24)3)35(9-2)16-15-31-42(7,38)39/h11-14,18-19,31,34H,8-10,15-17H2,1-7H3,(H,33,37)/b32-26+
InChIKey VDANDBBALOYQMS-HMZBKAONSA-N
Molecular Weight 656.257 g/mol
SMILES N(S(CCCC)(=O)=O)c1ccc(c(c1)NC(\C(=N\c1ccc(N(CCNS(=O)(=O)C)CC)cc1C)C(=O)C(C)(C)C)=O)Cl
SPLASH splash10-052b-4790040000-7b0467c513305396a632
Source of Spectrum JX-2015-4-1394
Synonyms N-(5-(butylsulfonamido)-2-chlorophenyl)-2-((4-(ethyl(2-(methylsulfonamido)ethyl)amino)-2-methylphenyl)imino)-4,4-dimethyl-3-oxopentanamide
Wiley ID 1726782