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4-chloro-N-{3-[4-(3-{[(4-chlorophenyl)sulfonyl]amino}propyl)-1-piperazinyl]propyl}benzenesulfonamide
SpectraBase Compound ID J3PU8JyCLoB
InChI InChI=1S/C22H30Cl2N4O4S2/c23-19-3-7-21(8-4-19)33(29,30)25-11-1-13-27-15-17-28(18-16-27)14-2-12-26-34(31,32)22-9-5-20(24)6-10-22/h3-10,25-26H,1-2,11-18H2
InChIKey VXQJRKJFZWJGAT-UHFFFAOYSA-N
Mol Weight 549.53 g/mol
Molecular Formula C22H30Cl2N4O4S2
Exact Mass 548.108553 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5D0Ba7jWOsJ
Name 4-Chloro-N-{3-[4-(3-{[(4-chlorophenyl)sulfonyl]amino}propyl)-1-piperazinyl]propyl}benzenesulfonamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 548.108553206 u
Formula C22H30Cl2N4O4S2
InChI InChI=1S/C22H30Cl2N4O4S2/c23-19-3-7-21(8-4-19)33(29,30)25-11-1-13-27-15-17-28(18-16-27)14-2-12-26-34(31,32)22-9-5-20(24)6-10-22/h3-10,25-26H,1-2,11-18H2
InChIKey VXQJRKJFZWJGAT-UHFFFAOYSA-N
Molecular Weight 549.532 g/mol
SMILES N(S(C1=CC=C(C=C1)Cl)(=O)=O)CCCN1CCN(CCCNS(C=2C=CC(=CC2)Cl)(=O)=O)CC1