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Benzenesulfonamide, N-(2-cyanoethyl)-4-methyl-N-[3-[[(4-methylphenyl)sulfonyl][3-(2-oxoazacyclotridec-1-yl)propyl]amino]propyl]-

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Benzenesulfonamide, N-(2-cyanoethyl)-4-methyl-N-[3-[[(4-methylphenyl)sulfonyl][3-(2-oxoazacyclotridec-1-yl)propyl]amino]propyl]-
SpectraBase Compound ID 56vxXAT5bnE
InChI InChI=1S/C35H52N4O5S2/c1-31-16-20-33(21-17-31)45(41,42)38(27-12-24-36)29-14-30-39(46(43,44)34-22-18-32(2)19-23-34)28-13-26-37-25-11-9-7-5-3-4-6-8-10-15-35(37)40/h16-23H,3-15,25-30H2,1-2H3
InChIKey SDNPNMIWAGJVDJ-UHFFFAOYSA-N
Mol Weight 672.9 g/mol
Molecular Formula C35H52N4O5S2
Exact Mass 672.337913 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3WbCorfNPtW
Name Benzenesulfonamide, N-(2-cyanoethyl)-4-methyl-N-[3-[[(4-methylphenyl)sulfonyl][3-(2-oxoazacyclotridec-1-yl)propyl]amino]propyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 672.337913133 u
Formula C35H52N4O5S2
InChI InChI=1S/C35H52N4O5S2/c1-31-16-20-33(21-17-31)45(41,42)38(27-12-24-36)29-14-30-39(46(43,44)34-22-18-32(2)19-23-34)28-13-26-37-25-11-9-7-5-3-4-6-8-10-15-35(37)40/h16-23H,3-15,25-30H2,1-2H3
InChIKey SDNPNMIWAGJVDJ-UHFFFAOYSA-N
Molecular Weight 672.944 g/mol
SMILES C=1(S(N(CCCN(S(C=2C=CC(=CC2)C)(=O)=O)CCCN2C(=O)CCCCCCCCCCC2)CCC#N)(=O)=O)C=CC(=CC1)C